SCHEMBL583540

SCHEMBL583540

NCCc1cccc(Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.71
TAAR1 Q96RJ0 8/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LOXL2 Q9Y4K0 2/20 0.50
CYP2A6 P11509 1/20 0.50
HPGD P15428 1/20 0.46
HRH1 P35367 2/20 0.42

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
SCHEMBL7735333 0.85 CALM1 (0.55) HTR2ASMN1; SMN2LOXL2HPGD
SCHEMBL14415701 0.85 HTR2A (0.61) HTR2ATAAR1SMN1; SMN2LOXL2CYP2A6
SCHEMBL16267990 0.84 HTR2A (0.53) HTR2ATAAR1SMN1; SMN2LOXL2CYP2A6
SCHEMBL1169208 0.84 HTR2A (1.00) HTR2ATAAR1SMN1; SMN2LOXL2CYP2A6
SCHEMBL18050877 0.81 HTR2A (0.47) HTR2ASMN1; SMN2LOXL2HPGD
SCHEMBL14415699 0.81 HTR2A (0.61) HTR2ATAAR1SMN1; SMN2LOXL2CYP2A6
SCHEMBL10360527 0.81 HTR2A (0.54) HTR2ASMN1; SMN2LOXL2HPGD
SCHEMBL7271489 0.76 HTR2A (0.42) HTR2ASMN1; SMN2HPGDHRH1
SCHEMBL8096435 0.76 CALM1 (0.44) HTR2ATAAR1HPGD
SCHEMBL10601277 0.76 TP53 (0.46) HTR2ATAAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036223-B2 Small molecule trail gene induction by normal and tumor cells as an anticancer therapy THE PENN STATE RESEARCH FOUNDATION (US) 2024-07-16 US disclosed
EP-3679934-B1 SMALL MOLECULE TRAIL GENE INDUCTION BY NORMAL AND TUMOR CELLS AS AN ANTICANCER THERAPY PENN STATE RES FOUND (US) 2024-06-05 EP disclosed
US-11951102-B2 Methods and compositions for treating retina-associated disease using CCR3-inhibitors ALKAHEST INC. (US) 2024-04-09 US disclosed
WO-2024073282-A2 HETEROCYCLES AS MODULATORS OF NSD ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-04 WO disclosed
US-11931360-B2 Compositions and methods relating to inhibitors of pro-inflammatory factors for treatment of cancer WAYNE STATE UNIVERSITY (US) 2024-03-19 US disclosed
US-20240082252-A1 COMPOSITIONS AND METHODS RELATING TO CANCER THE PENN STATE RESEARCH FOUNDATION 2024-03-14 US disclosed
EP-4335511-A2 SMALL MOLECULE TRAIL GENE INDUCTION BY NORMAL AND TUMOR CELLS AS AN ANTICANCER THERAPY The Penn State Research Foundation (US) 2024-03-13 EP disclosed
WO-2024031445-A1 METHODS AND PROCESSES FOR THE PREPARATION OF MCT4 INHIBITORS Vettore, LLC (US) 2024-02-15 WO disclosed
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS ALKAHEST, INC. 2024-01-25 US disclosed
US-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors ALKAHEST, INC. 2023-11-02 US disclosed
WO-2011005322-A2 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2011-01-13 WO disclosed
WO-2010115836-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
CN-101686991-A Compositions useful for reducing nephrotoxicity and methods of use thereof VERROW PHARMACEUTICALS INC 2010-03-31 CN disclosed
WO-2009148923-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-10 WO disclosed
WO-2009146347-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-03 WO disclosed
EP-1673088-A1 1,1,1- TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO¬2,3-C|PYRIDIN-2-YLMETHYL)PENTAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS GLUCOCORTICOID LIGANDS FOR THE TREATMENT OF INFLAMMATORY DISEASES AND DIABETES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-06-28 EP disclosed
WO-2005030213-A1 1,1,1-TRIFLUORO-4-PHENYL-4-METHYL-2-(1H-PYRROLO BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-04-07 WO disclosed
EP-1226146-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2002-07-31 EP disclosed
WO-2001057018-A1 AZAAZULENE INHIBITORS OF P38 MAP KINASE AND TNF-ALPHA ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed
WO-2001032655-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2001-05-10 WO 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-12036223-B2 Small molecule trail gene induction by normal and tumor cells as an anticancer therapy TSG101, TNFSF10, BCL2L10 HTR2A 2155/4885TAAR1 3276/4885SMN1; SMN2 1225/4885
US-11951102-B2 Methods and compositions for treating retina-associated disease using CCR3-inhibitors CCR3, CCR1, CCR4 HTR2A 3808/4885TAAR1 981/4885SMN1; SMN2 527/4885
US-20240082252-A1 COMPOSITIONS AND METHODS RELATING TO CANCER WEE1, WEE2, CHEK2 HTR2A 4516/4885TAAR1 4683/4885SMN1; SMN2 4111/4885
US-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors CCR3, CCR1, CCR4 HTR2A 3594/4885TAAR1 2606/4885SMN1; SMN2 3606/4885
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS CCR3, CCR1, CCR4 HTR2A 3808/4885TAAR1 981/4885SMN1; SMN2 527/4885
US-11931360-B2 Compositions and methods relating to inhibitors of pro-inflammatory factors for treatment of cancer LITAF, SERPINB1, RELA HTR2A 4442/4885TAAR1 4439/4885SMN1; SMN2 4479/4885

“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.