SCHEMBL4501282

SCHEMBL4501282

CCN(CC)CC(=O)N(CC)c1nc2c(Br)c3nc(N(CC)C(=O)CN(CC)CC)sc3cc2s1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.39
MEN1 O00255 4/20 0.39
THRB P10828 3/20 0.39
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.34
RAD52 P43351 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4496508 0.85 KMT2A (0.37) KMT2AMEN1THRBNPSR1RAB9A
SCHEMBL4501912 0.82 KMT2A (0.43) KMT2AMEN1NPSR1LMNA
SCHEMBL11262236 0.74 MAPT (0.47) KMT2AMEN1NPSR1LMNAMAPK1
SCHEMBL11262247 0.73 HTR2C (0.34) KMT2AMEN1THRBLMNARAD52
SCHEMBL4498347 0.69 WNT3A (0.40) KMT2AMEN1NPSR1LMNARAB9A
SCHEMBL4502145 0.67 HTR2C (0.41) KMT2AMEN1NPSR1LMNARAB9A
SCHEMBL11260856 0.62 HDAC6 (0.43) KMT2AMEN1NPSR1LMNARAB9A
SCHEMBL11259222 0.61 NPC1 (0.49) KMT2AMEN1LMNAMAPK1RAB9A
SCHEMBL11262352 0.60 MAPT (0.49) KMT2AMEN1NPSR1LMNAMAPK1
SCHEMBL7535208 0.60 MAPK1 (0.50) KMT2AMEN1LMNAMAPK1RAB9A

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
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP claimed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 KMT2A 3467/4885MEN1 18/4885THRB 3434/4885

“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.