SCHEMBL6926591

SCHEMBL6926591

NNC(=O)C1(O)c2cc(Cl)ccc2-c2ncccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ PDK2 Q15119 4/20 0.39
▸ SLC6A15 Q9H2J7 4/20 0.38
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ P2RX7 Q99572 7/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTAFR P25105 2/20 0.36
▸ HRH1 P35367 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
SCHEMBL6925309 0.85 F2 (0.47) F2PRSS1PDK2SLC6A15FNTA
SCHEMBL6921293 0.84 PDK2 (0.50) F2PDK2CYP1A2CYP2C19KMT2A
SCHEMBL22609096 0.69 PDK2 (0.44) PDK2CYP1A2CYP2C19KMT2APTAFR
SCHEMBL29395626 0.69 PDK2 (0.44) PDK2CYP1A2CYP2C19KMT2APTAFR
SCHEMBL22609091 0.68 PDK2 (0.45) F2PRSS1PDK2CYP1A2CYP2C19
SCHEMBL29398474 0.68 PDK2 (0.45) F2PRSS1PDK2CYP1A2CYP2C19
SCHEMBL6925342 0.68 PDK2 (0.52) F2PDK2CYP1A2CYP2C19KMT2A
SCHEMBL4023112 0.66 THRB (0.59) PDK2KMT2A
SCHEMBL9859978 0.66 TDP1 (0.65) F2PDK2CYP1A2CYP2C19KMT2A
SCHEMBL10345954 0.66 AKR1B1 (0.55) PDK2KMT2AHRH1

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
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 — — US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 — — US disclosed
WO-2002050056-A1 BENZYLAMINE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-06-27 — — 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI F2 2/4885PRSS1 116/4885PDK2 4795/4885

“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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