SCHEMBL6925573

SCHEMBL6925573

COc1ccc(NC(c2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2)C(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HTR2C P28335 9/20 0.43
HTR2B P41595 6/20 0.43
HTR2A P28223 4/20 0.43
GID4 Q8IVV7 1/20 0.40
TERT O14746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.37
MDM2 Q00987 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCN9A Q15858 1/20 0.35

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
SCHEMBL6923255 0.87 HTR2C (0.46) KDM4EHTR2CHTR2BHTR2AGID4
SCHEMBL6923415 0.86 HTR2C (0.44) KDM4EHTR2CHTR2BHTR2AGID4
SCHEMBL7379014 0.79 HTR2C (0.48) KDM4EHTR2CHTR2BHTR2AGID4
SCHEMBL6921229 0.78 F2 (0.60) ALDH1A1MEN1KMT2A
SCHEMBL6925078 0.78 ALDH1A1 (0.61) KDM4EALDH1A1EPHX2MEN1KMT2A
SCHEMBL6920228 0.75 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2MDM2MEN1
SCHEMBL6920258 0.73 MEN1 (0.46) KDM4EALDH1A1SMN1; SMN2MDM2MEN1
SCHEMBL17231940 0.73 HTR2C (0.58) KDM4EHTR2CHTR2BHTR2AGID4
SCHEMBL17231953 0.73 HTR2C (0.58) KDM4EHTR2CHTR2BHTR2AGID4
SCHEMBL6925575 0.73 EGFR (0.45) KDM4EALDH1A1MDM2

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-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI KDM4E 3420/4885HTR2C 524/4885HTR2B 1104/4885

“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.