SCHEMBL6926332

SCHEMBL6926332

COc1ccc(NC(Cc2ccc(Cl)cc2CN)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
MDM2 Q00987 1/20 0.35
MMP1 P03956 1/20 0.35
FPR2 P25090 1/20 0.34
MAPT P10636 3/20 0.34
KCNH2 Q12809 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL6921465 0.82 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL6919944 0.80 HTRA1 (0.42) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL7381283 0.75 MAPT (0.41) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL6920258 0.74 MEN1 (0.46) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL7379989 0.71 MAPT (0.42) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL6926419 0.71 MEN1 (0.48) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL17730176 0.68 DRD2 (0.38) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL5917344 0.65 MAPT (0.42) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL7376245 0.65 KMT2A (0.39) KMT2AMEN1ALDH1A1GAAL3MBTL1
SCHEMBL6920228 0.64 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1GAAL3MBTL1

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 KMT2A 2575/4885MEN1 1689/4885ALDH1A1 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.