SCHEMBL8548241

SCHEMBL8548241

CCCCNS(=O)(=O)c1cccc(C)c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.78
FBP1 P09467 7/20 0.66
ALDH1A1 P00352 4/20 0.64
TSHR P16473 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
ALOX12 P18054 1/20 0.53
AKR1C3 P42330 1/20 0.51
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KAT6A Q92794 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL11706540 0.95 KMT2A (0.76) KMT2AFBP1ALDH1A1TSHRGAA
SCHEMBL22544435 0.94 KMT2A (0.69) KMT2AFBP1ALDH1A1TSHRGAA
SCHEMBL11704757 0.94 KMT2A (0.73) KMT2AFBP1ALDH1A1TSHRLMNA
SCHEMBL11707958 0.90 KMT2A (0.83) KMT2AFBP1ALDH1A1AKR1C3HTT
SCHEMBL11815256 0.86 KMT2A (0.76) KMT2AFBP1ALDH1A1AKR1C3LMNA
SCHEMBL20202315 0.85 ALDH1A1 (0.66) KMT2AFBP1ALDH1A1TSHRGAA
SCHEMBL14971509 0.83 KMT2A (0.71) KMT2AFBP1ALDH1A1TSHRMAPT
SCHEMBL31404044 0.83 KMT2A (0.77) KMT2AFBP1ALDH1A1AKR1C3KAT6A
SCHEMBL350324 0.83 KMT2A (0.77) KMT2AFBP1ALDH1A1AKR1C3KAT6A
SCHEMBL922624 0.83 PRMT1 (0.62) KMT2AFBP1ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS ALIOS BIOPHARMA, INC. 2016-02-18 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
CN-101454301-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
EP-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed
US-4053458-A INHIBITORS UOP INC. (US) 1977-10-11 US disclosed
US-4022828-A BIS-(SULFONAMIDO)-SULFIDES UNIVERSAL OIL PRODUCTS COMPANY (US) 1977-05-10 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 (8 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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 KMT2A 108/4885FBP1 3366/4885ALDH1A1 1319/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 KMT2A 302/4885FBP1 3515/4885ALDH1A1 364/4885
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG KMT2A 2972/4885FBP1 1353/4885ALDH1A1 3409/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 KMT2A 1296/4885FBP1 2139/4885ALDH1A1 3235/4885
US-20160045528-A1 COMBINATION THERAPY FOR TREATING A PARAMYXOVIRUS MAVS, EIF2AK2, SARS1 KMT2A 3332/4885FBP1 1702/4885ALDH1A1 2576/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR KMT2A 199/4885FBP1 3372/4885ALDH1A1 340/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR KMT2A 210/4885FBP1 3399/4885ALDH1A1 362/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA KMT2A 937/4885FBP1 3091/4885ALDH1A1 140/4885

“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.