SCHEMBL5457874

SCHEMBL5457874

CN1CCc2c(sc(-n3cc(CC(N)=O)c4c(Cl)cccc43)c2C(N)=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.44
MEN1 O00255 8/20 0.44
MAPT P10636 6/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GLA P06280 4/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 3/20 0.41
RAB9A P51151 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
ALOX15 P16050 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
ADORA1 P30542 3/20 0.40
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5450911 0.79 L3MBTL1 (0.47) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL5450726 0.71 KMT2A (0.44) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL5457869 0.69 L3MBTL1 (0.50) KMT2AMEN1MAPTKDM4EGLA
SCHEMBL5453354 0.64 PLA2G2A (0.47) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL2101660 0.64 KDM4E (1.00) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL5445189 0.63 ATM (0.49) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL5459233 0.62 POLB (0.59) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL6999036 0.61 ICMT (0.45) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL18902248 0.61 KCNH2 (0.76) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL13151131 0.61 KMT2A (0.68) KMT2AMEN1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US claimed
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed
US-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents GPC BIOTECH AG (DE) 2007-11-29 US disclosed
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 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 (1 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-20070275962-A1 Heterobicyclic Compounds as Pharmaceutically Active Agents TBCA, PARK7, NFATC1 KMT2A 4785/4885MEN1 2891/4885MAPT 21/4885

“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.