SCHEMBL3138985

SCHEMBL3138985

COc1ccc(Cc2cnc(N)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 1.00
EPHX2 P34913 1/20 0.64
TSHR P16473 1/20 0.60
ALDH1A1 P00352 7/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LTA4H P09960 2/20 0.49
THRB P10828 1/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABL1 P00519 1/20 0.48
CYP2D6 P10635 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL10272620 0.82 POLB (0.69) POLBEPHX2ALDH1A1LMNAHPGD
SCHEMBL29442802 0.82 POLB (0.69) POLBEPHX2TSHRALDH1A1MAPT
SCHEMBL16060658 0.82 POLB (0.69) POLBEPHX2TSHRALDH1A1MAPT
SCHEMBL3136047 0.81 EPHX2 (0.70) POLBEPHX2TSHRALDH1A1LMNA
SCHEMBL8221788 0.81 POLB (0.68) POLBEPHX2TSHRALDH1A1LMNA
SCHEMBL6803163 0.81 EPHX2 (0.74) POLBEPHX2TSHRALDH1A1LMNA
SCHEMBL18456841 0.79 POLB (0.66) POLBEPHX2ALDH1A1LMNAHPGD
SCHEMBL27997768 0.79 POLB (0.65) POLBEPHX2TSHRALDH1A1LMNA
SCHEMBL10220130 0.78 POLB (0.64) POLBEPHX2ALDH1A1LMNAHPGD
SCHEMBL13401054 0.78 POLB (0.64) POLBEPHX2ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-18 US disclosed
CN-102348697-B Sulfonamide derivatives PFIZER LTD 2014-12-10 CN disclosed
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 WO disclosed
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 US disclosed
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 US disclosed
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 US disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 WO disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 US disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 US disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 US disclosed
WO-2012092471-A2 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 WO disclosed
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds SCHMITZ FRANZ ULRICH 2010-01-07 US disclosed
US-7595398-B2 N-(5-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-29 US disclosed
EP-1971597-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-09-24 EP disclosed
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
WO-2007070600-A2 N-(5-MEMBERED HETEROAROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 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 (4 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-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY NFE2L2, KEAP1, GSTK1 POLB 932/4885EPHX2 1948/4885TSHR 3460/4885
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME TUBB1, TUBA1C, TUBB POLB 484/4885EPHX2 4397/4885TSHR 1557/4885
US-20100004441-A1 N-(5-Membered Aromatic Ring)-Amido Anti-Viral Compounds ZC3HAV1, ZC3HAV1L, HAVCR2 POLB 1018/4885EPHX2 3478/4885TSHR 2330/4885
US-20070265265-A1 N-(5-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, HAVCR2 POLB 1018/4885EPHX2 3478/4885TSHR 2330/4885

“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.