SCHEMBL4611161

SCHEMBL4611161

Cc1cccc(C(N)CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.48
RAB9A P51151 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 2/20 0.46
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
RPS6KA2 Q15349 1/20 0.41
MEN1 O00255 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
THRB P10828 1/20 0.40
CHRM2 P08172 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL1231399 0.82 ALDH1A1 (0.47) KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL1231395 0.82 ALDH1A1 (0.47) KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL3764535 0.82 ALDH1A1 (0.47) KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL21509675 0.82 GNRHR (0.44) RAB9ATDP1ALDH1A1NPC1RPS6KA2
SCHEMBL21510052 0.82 KMT2A (0.49) KMT2ARAB9AMAPK1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL525550 0.81 ALDH1A1 (0.46) KMT2AMAPK1ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL525551 0.81 ALDH1A1 (0.46) KMT2AMAPK1ALDH1A1NPSR1
SCHEMBL4626559 0.77 KMT2A (0.50) KMT2ARAB9ATDP1MAPK1HPGD
SCHEMBL6540452 0.76 ELANE (0.51) KMT2ARAB9ATDP1MAPK1HPGD
SCHEMBL3379010 0.76 ELANE (0.51) KMT2ARAB9ATDP1MAPK1HPGD

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
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 KMT2A 4627/4885RAB9A 2707/4885TDP1 4587/4885

“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.