SCHEMBL3978076

SCHEMBL3978076

O=C(O)CC(NC(=O)c1cc(Cl)ccc1NCc1cccc2ccccc12)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 6/20 0.47
▸ EGLN1 Q9GZT9 6/20 0.47
▸ CTSA P10619 8/20 0.44
▸ MAPT P10636 3/20 0.42
▸ XBP1 P17861 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CYP26A1 O43174 1/20 0.40
▸ MEN1 O00255 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
SCHEMBL5926904 0.93 CTSA (0.50) CTSAMAPTXBP1KMT2ACYP26A1
SCHEMBL5926299 0.92 CTSA (0.43) EGLN2EGLN1CTSAMAPTXBP1
SCHEMBL5926161 0.89 CASP3 (0.42) EGLN2EGLN1CTSAMAPTXBP1
SCHEMBL6101137 0.88 CYP26A1 (0.47) CTSAKMT2AHPGDCYP26A1MEN1
SCHEMBL5926699 0.87 CTSA (0.42) CTSAMAPTXBP1KMT2ACYP26A1
SCHEMBL3978072 0.85 GPR34 (0.45) —
SCHEMBL5926915 0.85 TACR3 (0.41) CTSAMAPTXBP1KMT2ACYP26A1
SCHEMBL5926316 0.85 CNR1 (0.42) CTSAMAPTXBP1KMT2ARXFP1
SCHEMBL3992039 0.85 CTSA (0.44) CTSACYP26A1
SCHEMBL5926269 0.84 CTSA (0.41) CTSAMAPTXBP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501538-B2 Aryl and heteroaryl compounds, compositions and methods of use TRANSTECH PHARMA, INC. (US) 2009-03-10 — — US disclosed
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
US-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use VTVX HOLDINGS I LLC 2005-03-03 — — US disclosed
WO-2005014532-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — 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 (2 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-20050049310-A1 Aryl and heteroaryl compounds, compositions and methods of use EPOR, HBG2, CYP2F1 EGLN2 14/4885EGLN1 40/4885CTSA 1986/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 EGLN2 636/4885EGLN1 872/4885CTSA 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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