SCHEMBL5454292

SCHEMBL5454292

CN1CCc2c(sc(NC(=O)c3ccc(I)cc3)c2C(N)=O)C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.76
MEN1 O00255 6/20 0.76
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
ALOX15 P16050 2/20 0.67
TSHR P16473 2/20 0.67
MAPT P10636 2/20 0.67
HSD17B10 Q99714 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.64
POLB P06746 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62
ATM Q13315 1/20 0.62
PAX8 Q06710 1/20 0.59
FLT3 P36888 2/20 0.56
PPARG P37231 1/20 0.56
NR2E3 Q9Y5X4 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56

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
SCHEMBL5459968 0.88 KMT2A (0.71) KMT2AMEN1NPC1RAB9AALOX15
SCHEMBL5460132 0.84 L3MBTL1 (0.62) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL16445880 0.80 KMT2A (0.68) KMT2AMEN1NPC1RAB9AALOX15
SCHEMBL5458955 0.79 KMT2A (0.63) KMT2AMEN1NPC1RAB9AALOX15
SCHEMBL13151131 0.77 KMT2A (0.68) KMT2AMEN1NPC1RAB9AALOX15
SCHEMBL5459233 0.76 POLB (0.59) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL18902248 0.76 KCNH2 (0.76) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL5453585 0.76 KMT2A (0.67) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL5453198 0.76 ATM (0.62) KMT2AMEN1NPC1RAB9AALOX15
SCHEMBL5465726 0.76 KMT2A (0.63) KMT2AMEN1NPC1RAB9AALOX15

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 4 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

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 2891/4885NPC1 2627/4885

“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.