SCHEMBL449107

SCHEMBL449107

c1ccc(C2CCCC[N]2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 2/20 0.38
GRM5 P41594 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37

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
SCHEMBL3154131 0.98 ALDH1A1 (0.43) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL1171264 0.94 ALDH1A1 (0.41) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL2344147 0.78 OPRK1 (0.32) KDM4E
SCHEMBL2263409 0.76 KDM4E (0.36) KDM4ECYP1A2GRM5GAA
SCHEMBL1355983 0.76 NISCH (0.37) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL1461391 0.74 NISCH (0.33) MAPT
SCHEMBL1481510 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL3853982 0.73 RAB9A (0.42) ALDH1A1KDM4ENPC1RAB9ACYP1A2
SCHEMBL103011 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EDDB1CRBNMAPT
SCHEMBL60671 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EDDB1CRBNMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2023-10-03 US claimed
US-11135207-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2021-10-05 US claimed
US-20190328720-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CENTAURUS THERAPEUTICS 2019-10-31 US claimed
WO-2018112077-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CENTAURUS THERAPEUTICS (US) 2018-06-21 WO claimed
US-4436921-A CARCINOSTATIC ACTIVITY TOYAMA CHEMICAL CO., LTD. (JP) 1984-03-13 US claimed
WO-2019141096-A1 SUBSTITUTED UREA COMPOUND AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-07-25 WO disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9358300-B2 Transfection reagents Life Technologies Corporation (US) 2016-06-07 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
EP-2007733-B1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS MSD ITALIA SRL (IT) 2016-05-25 EP disclosed
EP-1976833-B1 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2015-07-29 EP disclosed
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL PORTELA & Cª S A (PT) 2015-07-16 US disclosed
WO-2008001134-A1 1,2,3,8,9,9A-HEXAHYDRO-7H-BENZO(DE)-1,7-NAPHTHYRIDIN-7-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2008-01-03 WO disclosed
WO-2007138355-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 WO disclosed
WO-2007113596-A1 AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-10-11 WO disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2007052073-A2 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-05-10 WO disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 WO disclosed
US-6486154-B1 (Hetero) aryl-sulfonamide derivatives, their preparation and their use as factor XA inhibitors ZENECA LIMITED (GB) 2002-11-26 US disclosed
US-4340737-A CNS AGENTS, HYPOTENSIVES, DIURETICS AND AGENTS FOR TREATMENT OF GLAUCOMA PFIZER INC. (US) 1982-07-20 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 (4 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-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, DEGS1, SMPD1 ALDH1A1 647/4885KDM4E 4599/4885DDB1 203/4885
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS REN, F12, HAT1 ALDH1A1 2674/4885KDM4E 1424/4885DDB1 4653/4885
US-11135207-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, DEGS1, SMPD1 ALDH1A1 647/4885KDM4E 4599/4885DDB1 203/4885
US-20190328720-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CERS2, DEGS1, SMPD1 ALDH1A1 647/4885KDM4E 4599/4885DDB1 203/4885

“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.