SCHEMBL629235

SCHEMBL629235

CNCCC1=CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
ALOX15 P16050 3/20 0.61
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 6/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALOX12 P18054 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12580589 0.94
SCHEMBL24613024 0.85 SMN1; SMN2 (0.57) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL21011845 0.83 ALDH1A1 (0.49) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL13195715 0.81 ALDH1A1 (0.58) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL14423917 0.80 ALDH1A1 (0.57) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL15894023 0.80 ALDH1A1 (0.57) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL14195457 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL9076343 0.78
SCHEMBL2618045 0.77 ALDH1A1 (0.54) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A
SCHEMBL2513477 0.77 ALDH1A1 (0.52) ALDH1A1ALOX15PKMSMN1; SMN2RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023101556-A1 NOVEL INHIBITORS OF ASPARTATE TRANSCARBAMOYLASE (ATCASE) AND COMPOSITIONS, METHODS AND USES RELATED THERETO. RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-06-08 WO disclosed
EP-2726459-B1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2019-09-11 EP disclosed
EP-2752401-B1 PRODUCTION METHOD FOR 2-ALKENYLAMINE COMPOUND SHOWA DENKO KK (JP) 2018-10-10 EP disclosed
EP-2752402-B1 PRODUCTION METHOD FOR 2-ALKENYLAMINE COMPOUND SHOWA DENKO KK (JP) 2018-06-27 EP disclosed
US-20170320818-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION UNIV DREXEL (US) 2017-11-09 US disclosed
US-20170266197-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS B VIRUS INFECTIONS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-09-21 US disclosed
US-9758477-B2 Sulfamoylbenzamide derivatives as antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2017-09-12 US disclosed
US-20170204086-A1 ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-07-20 US disclosed
US-9440907-B2 Production method for 2-alkenylamine compound SHOWA DENKO K.K. (JP) 2016-09-13 US disclosed
US-9399619-B2 Sulfamoylbenzamide derivatives as antiviral agents against HBV infection BARUCH S. BLUMBERG INSTITUTE (US) 2016-07-26 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 US disclosed
WO-2006074051-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING β-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
US-5332821-A Process for preparing isoquinolines HOFFMANN-LA ROCHE INC. (US) 1994-07-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170204086-A1 ALPHA-HELIX ANALOG HAVING TRIAZINE-PIPERAZINE BACKBONE AND METHOD FOR PREPARING SAME HSPH1, HBZ, PITHD1 ALDH1A1 2784/4885ALOX15 4775/4885PKM 3224/4885
US-20170320818-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION ALKBH5, SULT1A1, SHMT1 ALDH1A1 2034/4885ALOX15 2653/4885PKM 862/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C ALDH1A1 904/4885ALOX15 3301/4885PKM 1562/4885
US-20170266197-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS B VIRUS INFECTIONS HAVCR2, HCCS, PYGL ALDH1A1 1471/4885ALOX15 820/4885PKM 3760/4885
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PYCR1, PRMT9, PRLHR ALDH1A1 513/4885ALOX15 2933/4885PKM 721/4885
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 ALDH1A1 4356/4885ALOX15 2273/4885PKM 3746/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.