SCHEMBL369871

SCHEMBL369871

O=C(O)c1csc(-c2cccnc2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.72
IRAK4 Q9NWZ3 5/20 0.69
CYP19A1 P11511 3/20 0.64
AXL P30530 1/20 0.64
PBRM1 Q86U86 1/20 0.64
MKNK1 Q9BUB5 1/20 0.64
MKNK2 Q9HBH9 1/20 0.64
TLR7 Q9NYK1 1/20 0.64
HPGDS O60760 1/20 0.62
HDAC2 Q92769 1/20 0.62
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
CYP2E1 P05181 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2A6 P11509 1/20 0.58
CYP2C9 P11712 1/20 0.58

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
SCHEMBL31351012 1.00 HDAC6 (0.72) HDAC6IRAK4CYP19A1AXLPBRM1
SCHEMBL28784680 0.89 HDAC6 (0.74) HDAC6IRAK4CYP19A1AXLPBRM1
SCHEMBL13602299 0.86 HDAC6 (0.70) HDAC6IRAK4CYP19A1AXLPBRM1
SCHEMBL4734401 0.86 HDAC6 (0.70) HDAC6IRAK4CYP19A1AXLPBRM1
SCHEMBL31350948 0.86 HDAC6 (0.70) HDAC6IRAK4CYP19A1AXLPBRM1
SCHEMBL1812154 0.86 HDAC6 (0.70) HDAC6IRAK4CYP19A1AXLPBRM1
Hydrochloric Acid SCHEMBL5009761 0.85 HDAC6 (0.68) HDAC6IRAK4CYP19A1AXLPBRM1
Niacinamide SCHEMBL27598923 0.84 HPGDS (0.59) HDAC6IRAK4CYP19A1TLR7HPGDS
SCHEMBL24755152 0.84 HDAC6 (1.00) HDAC6IRAK4CYP19A1AXLPBRM1
SCHEMBL352152 0.83 HPGDS (0.73) HDAC6TLR7HPGDSRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
CN-101903339-B Substituted N-phenyl-bipyrrolidine carboxamides and their therapeutic use SANOFI AVENTIS 2012-06-27 CN claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
EP-1727551-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-09-09 EP claimed
CN-100496499-C Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LTD (GB) 2009-06-10 CN claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
US-20060149066-A1 Imidazole derivatives PFIZER INC 2006-07-06 US claimed
WO-2005089770-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING OR PREVENTING RSV INFECTION ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005089771-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND A INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
EP-1305295-A1 IMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2003-05-02 EP claimed
US-20020119963-A1 Imidazole derivatives PFIZER PRODUCTS INC. 2002-08-29 US claimed
WO-2002010141-A1 IMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-02-07 WO claimed

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-20060149066-A1 Imidazole derivatives CDK1, CDK3, CKMT1A; CKMT1B HDAC6 239/4885IRAK4 557/4885CYP19A1 412/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 HDAC6 2982/4885IRAK4 4162/4885CYP19A1 1259/4885
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 HDAC6 2854/4885IRAK4 2635/4885CYP19A1 329/4885
US-20020119963-A1 Imidazole derivatives CDK1, CDK3, CDK2 HDAC6 240/4885IRAK4 464/4885CYP19A1 436/4885

“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.