SCHEMBL5459233

SCHEMBL5459233

CN1CCc2c(sc(NC(=O)Cc3ccccc3I)c2C(N)=O)C1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
KMT2A Q03164 5/20 0.59
MEN1 O00255 2/20 0.59
L3MBTL1 Q9Y468 5/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ALDH1A1 P00352 1/20 0.53
ATM Q13315 1/20 0.52
PAX8 Q06710 1/20 0.52

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
SCHEMBL5460132 0.84 L3MBTL1 (0.62) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL5457869 0.80 L3MBTL1 (0.50) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL5450903 0.78 L3MBTL1 (0.58) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL5454130 0.78 L3MBTL1 (0.66) POLBKMT2AMEN1L3MBTL1PAX8
SCHEMBL5460249 0.78 KMT2A (0.65) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL5453078 0.77 KMT2A (0.80) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL5454292 0.76 KMT2A (0.76) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL5450725 0.76 NTRK1 (0.64) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL16445880 0.76 KMT2A (0.68) POLBKMT2AMEN1L3MBTL1NPC1
SCHEMBL5459968 0.75 KMT2A (0.71) KMT2AMEN1L3MBTL1NPC1RAB9A

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 POLB 404/4885KMT2A 4785/4885MEN1 2891/4885

“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.