SCHEMBL6554528

SCHEMBL6554528

Cc1cc(C(=O)NC(CC(=O)N(C)C)c2cccc(C#N)c2)ccc1C(=O)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
KCNK3 O14649 1/20 0.41
ACACB O00763 1/20 0.40
CCKBR P32239 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38
ADORA2A P29274 5/20 0.38
HRH3 Q9Y5N1 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER4 P35408 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL6554526 0.90 NAMPT (0.43) NAMPTKCNK3ACACBCCKBRGPR139
SCHEMBL6555861 0.84 F10 (0.45)
Hydrochloric Acid SCHEMBL6556499 0.84 F10 (0.44)
SCHEMBL7558695 0.82 NAMPT (0.45) NAMPTKCNK3ACACBCCKBRGPR139
SCHEMBL6341179 0.82 NAMPT (0.41) NAMPTKCNK3GPR139PTGER4
SCHEMBL6342009 0.81 NAMPT (0.43) NAMPTKCNK3GPR139
SCHEMBL6350201 0.80 ROCK2 (0.42) NAMPTKCNK3GPR139MEN1ALDH1A1
SCHEMBL7560820 0.80 ROCK2 (0.39) NAMPTKCNK3CCKBRADORA2AALDH1A1
SCHEMBL6341178 0.77 NAMPT (0.40) NAMPTKCNK3GPR139PTGER4
SCHEMBL6554495 0.76 F10 (0.44)

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-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20020151534-A1 Antithrombotic compounds SERPINC1, PF4, F2 NAMPT 2476/4885KCNK3 947/4885ACACB 2861/4885

“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.