SCHEMBL16061820

SCHEMBL16061820

Cc1ccc(Cc2cnc(N)s2)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 1.00
▸ MAPT P10636 4/20 1.00
▸ POLB P06746 3/20 1.00
▸ HTT P42858 3/20 1.00
▸ THRB P10828 1/20 1.00
▸ RECQL P46063 1/20 1.00
▸ HSD17B10 Q99714 1/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ L3MBTL1 Q9Y468 1/20 1.00
▸ EPHX2 P34913 1/20 0.49
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NOS1 P29475 1/20 0.41
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL3136047 0.72 EPHX2 (0.70) ALDH1A1MAPTPOLBHTTTHRB
SCHEMBL903315 0.71 CHRM2 (0.58) ALDH1A1MAPTPOLBHTTTHRB
SCHEMBL4143614 0.70 MAPT (0.54) ALDH1A1MAPTPOLBHTTTHRB
SCHEMBL16061555 0.70 POLB (0.54) ALDH1A1MAPTPOLBHTTTHRB
SCHEMBL12826087 0.69 MAPT (0.53) ALDH1A1MAPTPOLBHTTTHRB
SCHEMBL13680728 0.69 ALDH1A1 (0.53) ALDH1A1MAPTPOLBHTTTHRB
SCHEMBL19481502 0.69 CHRM2 (0.56) ALDH1A1MAPTPOLBHTTTHRB
SCHEMBL231242 0.68 EPHX2 (0.69) ALDH1A1MAPTPOLBHTTTHRB
SCHEMBL6803163 0.68 EPHX2 (0.74) ALDH1A1MAPTPOLBHTTTHRB
SCHEMBL3144357 0.68 EPHX2 (0.54) ALDH1A1MAPTPOLBHTTTHRB

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-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-18 — — US disclosed
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 — — WO disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 — — 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-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY NFE2L2, KEAP1, GSTK1 ALDH1A1 1059/4885MAPT 2657/4885POLB 932/4885

“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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