SCHEMBL5459968

SCHEMBL5459968

CN1CCc2c(sc(NC(=O)c3cccc(I)c3)c2C(N)=O)C1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 14/20 0.71
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
MEN1 O00255 6/20 0.71
ATM Q13315 1/20 0.61
MAPT P10636 3/20 0.58
ALOX15 P16050 3/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58
FLT3 P36888 2/20 0.57
KDM4E B2RXH2 1/20 0.56
USP2 O75604 2/20 0.56
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PAX8 Q06710 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55

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
SCHEMBL5454292 0.88 KMT2A (0.76) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL17975307 0.81 FLT3 (0.72) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL16445880 0.78 KMT2A (0.68) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL5458955 0.78 KMT2A (0.63) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL17988129 0.78 KMT2A (0.58) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL5460132 0.77 L3MBTL1 (0.62) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL5459233 0.75 POLB (0.59) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL5453198 0.75 ATM (0.62) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL5465726 0.74 KMT2A (0.63) KMT2ANPC1RAB9AMEN1ATM
SCHEMBL13151131 0.74 KMT2A (0.68) KMT2ANPC1RAB9AMEN1ATM

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 4785/4885NPC1 2627/4885RAB9A 948/4885

“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.