SCHEMBL3077795

SCHEMBL3077795

O=C(O)/C=C/Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.68
RAB9A P51151 11/20 0.68
ALDH1A1 P00352 7/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
MAPT P10636 7/20 0.50
PKM P14618 4/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TP53 P04637 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALOX15 P16050 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL3077797 1.00 NPC1 (0.68) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL27912466 0.85 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL14482456 0.83 MGLL (0.56) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3079233 0.83 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3079231 0.83 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3070581 0.83 NPC1 (0.63) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3057246 0.81 MMP1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL19657986 0.81 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL3057250 0.81 MMP1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1
SCHEMBL16218028 0.81 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080161575-A1 Process for the synthesis of 6-amino-4-(3-chloro-4-fluorophenylamino)-7-ethoxyquinoline-3-carbonitrile WYETH (US) 2008-07-03 US disclosed
US-7365203-B2 Process for the synthesis of 6-amino-4-(3-chloro-4-fluoro-phenylamino)-7-ethoxy-quinoline-3-carbonitrile WYETH (US) 2008-04-29 US disclosed
US-20080033175-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles WYETH HOLDINGS CORPORATION (US) 2008-02-07 US disclosed
US-7297795-B2 Process for preparation of 4-amino-3-quinolinecarbonitriles WYETH HOLDINGS CORPORATION (US) 2007-11-20 US disclosed
US-7294211-B2 Non-toxic corrosion-protection conversion coats based on cobalt UNIVERSITY OF DAYTON (US) 2007-11-13 US disclosed
US-20040204587-A1 Process for the synthesis of 3-cyano-6-alkoxy-7-nitro-4-quinolones WYETH HOLDINGS CORPORATION 2004-10-14 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-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-20080161575-A1 Process for the synthesis of 6-amino-4-(3-chloro-4-fluorophenylamino)-7-ethoxyquinoline-3-carbonitrile QPCT, CYP3A4, CPNE4 NPC1 2916/4885RAB9A 1577/4885ALDH1A1 807/4885
US-20080033175-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles BTF3, PTMS, BCAT2 NPC1 4868/4885RAB9A 4870/4885ALDH1A1 2093/4885
US-20040204587-A1 Process for the synthesis of 3-cyano-6-alkoxy-7-nitro-4-quinolones DTYMK, DCK, TNK1 NPC1 4795/4885RAB9A 3331/4885ALDH1A1 3101/4885

“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.