SCHEMBL6283777

SCHEMBL6283777

O=C(NCc1ccc(Cl)cc1)c1n[nH]c2cnc(CCCO)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK10 P53779 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GALR3 O60755 1/20 0.39
ABCB1 P08183 1/20 0.39
HAT1 O14929 1/20 0.39
EP300 Q09472 1/20 0.39

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
SCHEMBL6284350 0.81 KCNH2 (0.48) RAB9AABCB1
SCHEMBL7015592 0.81 HSP90AA1 (0.40) MEN1KMT2AGAARAB9APOLB
SCHEMBL6287132 0.81 MEN1 (0.43) MEN1KMT2AGAARAB9AL3MBTL1
SCHEMBL6284890 0.80 SMN1; SMN2 (0.47) KMT2ARAB9ALMNACYP1A2CYP2C9
SCHEMBL7483755 0.78 MEN1 (0.67) MEN1KMT2AGAARAB9AL3MBTL1
SCHEMBL6284984 0.74 KMT2A (0.48) MEN1KMT2AGAARAB9AL3MBTL1
SCHEMBL23563243 0.73 MEN1 (0.55) MEN1KMT2AGAARAB9AL3MBTL1
SCHEMBL6284766 0.73 MAPT (0.55) MEN1KMT2A
SCHEMBL6289009 0.72 SMN1; SMN2 (0.44) KMT2ARAB9ALMNAPOLBGALR3
SCHEMBL6288521 0.71 MEN1 (0.41) MEN1KMT2AMAPK1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US claimed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US claimed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US claimed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US claimed
EP-1301493-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-16 EP claimed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US claimed
WO-2002004444-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO claimed
US-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US disclosed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US disclosed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US disclosed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US disclosed
EP-1301493-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-16 EP disclosed
WO-2002004444-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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 (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-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 MEN1 2651/4885KMT2A 4576/4885GAA 1869/4885
US-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MEN1 2250/4885KMT2A 993/4885GAA 1182/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MEN1 2250/4885KMT2A 993/4885GAA 1182/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 MEN1 2250/4885KMT2A 993/4885GAA 1182/4885

“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.