SCHEMBL16363178

SCHEMBL16363178

Cc1ccc(C(F)(F)F)c(-c2ccc(NC(=O)c3ccnc4ccccc34)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 3/20 0.56
▸ RORA P35398 1/20 0.52
▸ CYP3A4 P08684 6/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ S1PR1 P21453 3/20 0.46
▸ S1PR3 Q99500 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1828944 0.89 NR2E1 (0.57) NR2E1RORATRPV1
SCHEMBL16363181 0.81 TRPV1 (0.54) TRPV1S1PR1S1PR3KDM4E
SCHEMBL16363169 0.81 HPGD (0.52) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL16363171 0.80 LMNA (0.61) KMT2AMEN1KDM4EPOLBL3MBTL1
SCHEMBL16363183 0.79 S1PR1 (0.46) TRPV1S1PR1S1PR3L3MBTL1
SCHEMBL16363186 0.78 STIM1 (0.57) TRPV1S1PR1S1PR3L3MBTL1
SCHEMBL16363163 0.78 S1PR1 (0.59) KMT2AMEN1S1PR1ALDH1A1POLB
SCHEMBL16363172 0.77 KCNK3 (0.47) GAATRPV1S1PR1S1PR3ALDH1A1
SCHEMBL16363175 0.76 KCNK3 (0.47) KMT2AMEN1TRPV1S1PR1S1PR3
SCHEMBL16363156 0.76 IDO1 (0.47) KMT2AMEN1TRPV1L3MBTL1

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-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 — — US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 — — 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 (2 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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 NR2E1 2068/4885RORA 107/4885CYP3A4 1068/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 NR2E1 2068/4885RORA 107/4885CYP3A4 1068/4885

“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.

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