SCHEMBL4501912

SCHEMBL4501912

CCN(CC)CC(=O)N(CC)c1nc2cc3nc(N(CC)C(=O)CN(CC)CC)sc3cc2s1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.43
MEN1 O00255 7/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.42
HTR2C P28335 1/20 0.41

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
SCHEMBL4498347 0.86 WNT3A (0.40) KMT2AMEN1NPSR1LMNAHTR2C
SCHEMBL4502145 0.84 HTR2C (0.41) KMT2AMEN1NPSR1LMNAHTR2C
SCHEMBL11255745 0.84 HTR2C (0.41) KMT2AMEN1NPSR1LMNAHTR2C
SCHEMBL4501282 0.82 KMT2A (0.39) KMT2AMEN1NPSR1LMNA
SCHEMBL11260856 0.79 HDAC6 (0.43) KMT2AMEN1NPSR1LMNAHTR2C
SCHEMBL11256191 0.72 HDAC6 (0.38) KMT2AMEN1NPSR1LMNAHTR2C
SCHEMBL11256671 0.71 RAB9A (0.49) KMT2A
SCHEMBL4503387 0.71 ALDH1A1 (0.47) KMT2AMEN1LMNAHTR2C
SCHEMBL11256677 0.71 HTR2C (0.42) KMT2AMEN1NPSR1LMNAHTR2C
SCHEMBL4512266 0.70 NPC1 (0.45) KMT2AMEN1NPSR1LMNAHTR2C

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-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
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 18/4885NPSR1 599/4885

“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.