SCHEMBL579555

SCHEMBL579555

NC(=O)c1cn(-c2ccccc2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.65
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
RORC P51449 6/20 0.51
CYP2C9 P11712 3/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
MAPK1 P28482 1/20 0.49
FABP4 P15090 1/20 0.48
HTR3A P46098 1/20 0.47
TNF P01375 1/20 0.46
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL30615755 0.89 NR4A2 (0.56) NR4A2CA12CA1CA2CA9
SCHEMBL27868258 0.89 NR4A2 (0.56) NR4A2CA12CA1CA2CA9
SCHEMBL11553625 0.86 NR4A2 (0.69) NR4A2CA12CA1CA2CA9
SCHEMBL13335120 0.86 NR4A2 (0.69) NR4A2CA12CA1CA2CA9
SCHEMBL31601057 0.86 NR4A2 (0.69) NR4A2CA12CA1CA2CA9
SCHEMBL12670681 0.84 HTR3A (0.53) NR4A2CA12CA1CA2CA9
SCHEMBL12386984 0.84 NR4A2 (0.58) NR4A2CA12CA1CA2CA9
SCHEMBL4002617 0.83 NR4A2 (0.65) NR4A2CA12CA1CA2CA9
SCHEMBL17176538 0.83 NR4A2 (0.69) NR4A2CA12CA1CA2CA9
SCHEMBL3996474 0.82 NR4A2 (0.64) NR4A2CA12CA1CA2CA9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105408321-B Indoles and azole derivatives, their preparation method and the pharmaceutical composition containing them 法国施维雅药厂 2019-03-08 CN disclosed
EP-3027602-A1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2016-06-08 EP disclosed
WO-2015011396-A1 NOVEL DERIVATIVES OF INDOLE AND PYRROLE, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2015-01-29 WO disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 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-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS NR4A2 3160/4885CA12 4267/4885CA1 4515/4885

“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.