SCHEMBL11686956

SCHEMBL11686956

Cc1ccc2c(c1)cc(-c1ccc(Cl)cc1)n2C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45
MAPT P10636 1/20 0.45
CYP19A1 P11511 1/20 0.42
PPP1CA P62136 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39
TP53 P04637 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
APP P05067 1/20 0.38
PTGS2 P35354 1/20 0.38
CXCR3 P49682 2/20 0.37
ADORA2B P29275 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL13444463 0.91 KMT2A (0.53) KMT2ARXFP1MAPTCYP19A1THRB
SCHEMBL7799883 0.88 KMT2A (0.50) KMT2ARXFP1CYP19A1TP53USP2
SCHEMBL18470544 0.83 MAPT (0.49) KMT2ARXFP1MAPTCYP19A1THRB
SCHEMBL6489298 0.83 KMT2A (0.46) KMT2ARXFP1MAPTCYP19A1THRB
SCHEMBL11662919 0.83 KMT2A (0.68) KMT2ARXFP1MAPTCYP19A1SMN1; SMN2
SCHEMBL18470558 0.83 KMT2A (0.46) KMT2ARXFP1MAPTCYP19A1MAOA
SCHEMBL17199055 0.82 BRPF1 (0.47) KMT2ARXFP1MAPTCYP19A1SMN1; SMN2
SCHEMBL18470539 0.80 KMT2A (0.42) KMT2ARXFP1MAPTCYP19A1SMN1; SMN2
SCHEMBL18470545 0.80 GRIK1 (0.49) KMT2APPP1CASMN1; SMN2TP53PTGS2
SCHEMBL11658428 0.79 KMT2A (0.73) KMT2AMAPTCYP19A1TP53USP2

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-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 US disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 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-20170037044-A1 AMIDE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD THEREOF AND MEDICINAL APPLICATION THEREOF PTGES, PTGS1, PTGIS KMT2A 3004/4885RXFP1 2080/4885MAPT 3600/4885

“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.