SCHEMBL3189055

SCHEMBL3189055

c1ccccc2ncccc2ccc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.94
NPC1 O15118 2/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
CYP3A4 P08684 3/20 0.54
MAPT P10636 4/20 0.52
HTT P42858 3/20 0.52
KDM4E B2RXH2 3/20 0.52
CASP1 P29466 2/20 0.52
TP53 P04637 2/20 0.52
HSP90AA1 P07900 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
CASP7 P55210 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
NR4A2 P43354 1/20 0.52
HSP90AB1 P08238 1/20 0.52

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
Quinoline SCHEMBL28302932 1.00 ALDH1A1 (0.94) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL9355965 1.00 ALDH1A1 (0.94) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL27968245 0.97 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL27594824 0.97 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL27695728 0.97 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL7208557 0.97 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL27443844 0.97 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL28069207 0.97 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL27689007 0.97 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL29822171 0.97 ALDH1A1 (1.00) ALDH1A1NPC1POLBRAB9ACYP3A4

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352360-B2 TGF-beta inhibitors Rigel Pharmaceuticals, hic. (US) 2022-06-07 US disclosed
US-20200031832-A1 TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2020-01-30 US disclosed
US-20180086764-A1 TGF-ß Inhibitors MIDCAP FINANCIAL TRUST 2018-03-29 US disclosed
US-9884868-B2 TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-02-06 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed
US-20040104377-A1 Non-toxic corrosion-protection pigments based on rare earth elements UNIVERSITY OF DAYTON 2004-06-03 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 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 (3 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-11352360-B2 TGF-beta inhibitors TGFBR1, TGFBR2, TGFB1 ALDH1A1 701/4885NPC1 2491/4885POLB 2969/4885
US-20200031832-A1 TGF-Beta Inhibitors TGFBR1, TGFBR2, TGFB1 ALDH1A1 701/4885NPC1 2491/4885POLB 2969/4885
US-20180086764-A1 TGF-ß Inhibitors TGFBR1, TGFBR2, TGFB1 ALDH1A1 1295/4885NPC1 3150/4885POLB 1902/4885

“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.