SCHEMBL5855702

SCHEMBL5855702

NCc1ccccc1-n1cnnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.41
▸ PNMT P11086 3/20 0.40
▸ DPP4 P27487 3/20 0.38
▸ LOXL2 Q9Y4K0 2/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2A6 P11509 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30
▸ NOTUM Q6P988 1/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL1021417 0.78 KDM4E (0.52) NCF1PNMTDPP4LOXL2CYP2C19
SCHEMBL30332127 0.78 KDM4E (0.52) NCF1PNMTDPP4LOXL2CYP2C19
SCHEMBL2463222 0.77 IDO1 (0.56) LOXL2CYP2C19MAPTTSHRCYP2A6
SCHEMBL16793052 0.74 TPH1 (0.42) NCF1CYP2C19CYP2A6
SCHEMBL4927896 0.73 ALDH1A1 (0.53) MAPTTSHRKDM4ENOTUM
SCHEMBL9435417 0.71 GAA (0.60) MAPTTSHRKDM4EGAANOTUM
SCHEMBL16793221 0.69 NOTUM (0.42) NCF1PNMTLOXL2CYP2C19NOTUM
SCHEMBL4611825 0.69 LMNA (0.43) NCF1PNMTCYP2A6KDM4E
SCHEMBL30332360 0.69 NOTUM (0.42) NCF1PNMTLOXL2CYP2C19NOTUM
SCHEMBL30332313 0.69 LMNA (0.43) NCF1PNMTCYP2A6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 — — US disclosed
US-7026324-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-04-11 — — US disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 — — US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 — — US disclosed
EP-1359913-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-11-12 — — EP disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 — — US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 — — US disclosed
WO-2002064140-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 — — WO disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 — — WO disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 — — 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 (3 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-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 NCF1 240/4885PNMT 4379/4885DPP4 427/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI NCF1 630/4885PNMT 2004/4885DPP4 241/4885
US-20040073025-A1 Thrombin inhibitors F2, F11, F10 NCF1 138/4885PNMT 2668/4885DPP4 3046/4885

“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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