SCHEMBL6926419

SCHEMBL6926419

COc1ccc(NC(c2ccc(Cl)cc2CO)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
ALDH1A1 P00352 7/20 0.48
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
MDM2 Q00987 1/20 0.43
TSHR P16473 1/20 0.39
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 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
SCHEMBL6920228 0.82 ALDH1A1 (0.49) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL6923255 0.76 HTR2C (0.46) ALDH1A1KDM4EMDM2SMN1; SMN2
SCHEMBL6925564 0.76 EGFR (0.45) ALDH1A1KDM4EMDM2TSHR
SCHEMBL7376245 0.73 KMT2A (0.39) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL6926332 0.71 KMT2A (0.42) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL6920258 0.70 MEN1 (0.46) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL6405380 0.68 ADRA2A (0.40) ALDH1A1KDM4ETSHR
SCHEMBL14686282 0.68 CA1 (0.47) MEN1KMT2AALDH1A1KDM4EPSEN1
SCHEMBL1154551 0.67 MAPT (0.41) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL23967609 0.65 ALDH1A1 (0.49) MEN1KMT2AALDH1A1GAAL3MBTL1

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 MEN1 1689/4885KMT2A 2575/4885ALDH1A1 4773/4885

“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.