SCHEMBL6919944

SCHEMBL6919944

COc1ccc(NC(Cc2ccc(Cl)cc2CNC(=O)OC(C)(C)C)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 4/20 0.42
IDO1 P14902 2/20 0.39
EPHX2 P34913 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGES O14684 1/20 0.36
DDR1 Q08345 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 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
SCHEMBL6927325 0.87 HTRA1 (0.40) HTRA1IDO1EPHX2ALDH1A1MEN1
SCHEMBL6926332 0.80 KMT2A (0.42) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL6924847 0.79 F2 (0.49) ALDH1A1
SCHEMBL6924003 0.78 ALDH1A1 (0.47) ALDH1A1
SCHEMBL3734185 0.72 ANO1 (0.51) IDO1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL16739703 0.71 IDO1 (0.46) IDO1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL25594014 0.71 GFER (0.47) EPHX2L3MBTL1
SCHEMBL6919952 0.71 IDO1 (0.51) IDO1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6921464 0.71 IDO1 (0.50) IDO1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27988801 0.71 IDO1 (0.53) IDO1EPHX2ALDH1A1MEN1KMT2A

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 HTRA1 92/4885IDO1 2641/4885EPHX2 531/4885

“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.