SCHEMBL6554900

SCHEMBL6554900

Cc1cc(C(=O)NCc2cc(C(=N)NC(=O)c3ccccc3)ccc2O)ccc1C(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
CCKBR P32239 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
GAA P10253 1/20 0.38
SYK P43405 1/20 0.38
F10 P00742 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6555885 0.88 HPGD (0.43) ALDH1A1HPGDLMNAHTTKMT2A
Hydrochloric Acid SCHEMBL6555794 0.87 HPGD (0.43) ALDH1A1HPGDLMNAHTTKMT2A
SCHEMBL5091336 0.85 F10 (0.41) ALDH1A1HPGDLMNAHTTKMT2A
SCHEMBL6554517 0.85 OPRM1 (0.38) ALDH1A1HPGDLMNACCKBRKMT2A
SCHEMBL2997517 0.85 F10 (0.45) ALDH1A1HPGDLMNAHTTF10
Hydrochloric Acid SCHEMBL6554962 0.84 F10 (0.44) ALDH1A1HPGDLMNAHTTF10
SCHEMBL6554618 0.81 ALDH1A1 (0.41) ALDH1A1HPGDLMNAHTTKMT2A
SCHEMBL6556516 0.79 KLKB1 (0.44) ALDH1A1HPGDLMNAHTTKMT2A
SCHEMBL6554470 0.77 SMPD1 (0.43) ALDH1A1HPGDLMNAMAPT
SCHEMBL5089056 0.76 HSD11B1 (0.43) ALDH1A1HPGDLMNAKMT2AMEN1

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-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP claimed
US-20020151534-A1 Antithrombotic compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US claimed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO claimed
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 CACNA1B 290/4885ALDH1A1 192/4885HPGD 569/4885

“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.