SCHEMBL4502145

SCHEMBL4502145

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
RAD52 P43351 1/20 0.41
KMT2A Q03164 8/20 0.40
MEN1 O00255 4/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL11255745 0.85 HTR2C (0.41) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL4501912 0.84 KMT2A (0.43) HTR2CKMT2AMEN1NPSR1LMNA
SCHEMBL4502361 0.82 WNT3A (0.42) HTR2CRAD52KMT2ANPC1RAB9A
SCHEMBL4496508 0.82 KMT2A (0.37) HTR2CKMT2AMEN1NPC1RAB9A
SCHEMBL11260856 0.80 HDAC6 (0.43) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL11256191 0.73 HDAC6 (0.38) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL4498347 0.72 WNT3A (0.40) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL4503387 0.72 ALDH1A1 (0.47) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL11256677 0.72 HTR2C (0.42) HTR2CRAD52KMT2AMEN1NPC1
SCHEMBL4512266 0.71 NPC1 (0.45) HTR2CRAD52KMT2AMEN1NPC1

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 3 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

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 HTR2C 3071/4885RAD52 4778/4885KMT2A 3467/4885

“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.