SCHEMBL6554470

SCHEMBL6554470

Cc1cc(C(=O)NCc2cc(C(=N)NO)ccc2OCc2ccccc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PPARG P37231 5/20 0.42
PPARD Q03181 1/20 0.42
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
PTGER1 P34995 2/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Hydrochloric Acid SCHEMBL6556585 0.90 F10 (0.44) SMPD1HDAC1HDAC8HDAC6PPARG
SCHEMBL7370559 0.85 MET (0.41) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL6554549 0.85 SLC6A9 (0.46) PPARGPPARDNPC1RAB9APTGER1
Hydrochloric Acid SCHEMBL6554810 0.84 SLC6A9 (0.45) PPARGPPARDNPC1RAB9APTGER1
SCHEMBL6555885 0.82 HPGD (0.43) HPGDALDH1A1LMNA
Hydrochloric Acid SCHEMBL6555794 0.81 HPGD (0.43) HPGDALDH1A1LMNA
SCHEMBL5089072 0.80 HSD17B10 (0.38) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL6324414 0.80 EGFR (0.39) HDAC1HDAC8HDAC6HPGDMAPT
SCHEMBL5094227 0.79 MET (0.41) HDAC1HPGDMAPTNPC1RAB9A
SCHEMBL6554517 0.78 OPRM1 (0.38) PPARGPPARDHPGDALDH1A1OPRM1

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 SMPD1 1568/4885HDAC1 392/4885HDAC8 1662/4885

“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.