SCHEMBL5926316

SCHEMBL5926316

O=C(O)CC(NC(=O)c1cc(Cl)ccc1NCc1cccc2ccccc12)c1ccc(-c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ CTSA P10619 7/20 0.41
▸ SERPINE1 P05121 2/20 0.41
▸ MAPT P10636 6/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP26A1 O43174 2/20 0.37
▸ XBP1 P17861 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
SCHEMBL5926904 0.90 CTSA (0.50) CTSASERPINE1MAPTKMT2AMEN1
SCHEMBL5926313 0.86 ITGB1 (0.42) CNR1CNR2SERPINE1
SCHEMBL3978076 0.85 EGLN2 (0.47) CTSAMAPTKMT2AMEN1RXFP1
SCHEMBL6101137 0.84 CYP26A1 (0.47) CTSAKMT2AMEN1CYP26A1
SCHEMBL5926699 0.84 CTSA (0.42) CTSAMAPTKMT2AMEN1CYP26A1
SCHEMBL5926299 0.82 CTSA (0.43) CTSAMAPTKMT2AMEN1HTT
SCHEMBL5926915 0.82 TACR3 (0.41) CTSAMAPTKMT2AMEN1CYP26A1
SCHEMBL3992039 0.81 CTSA (0.44) CTSACYP26A1
SCHEMBL5926269 0.81 CTSA (0.41) CTSAMAPTKMT2AHTTXBP1
SCHEMBL5926165 0.81 CYP26A1 (0.45) SERPINE1KMT2AMEN1CYP26A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 CNR1 818/4885CNR2 660/4885CTSA 426/4885

“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.

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