SCHEMBL3085049

SCHEMBL3085049

Nc1cccc2nn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
HSD17B10 Q99714 5/20 0.37
MAPT P10636 5/20 0.37
POLB P06746 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.36
HPGD P15428 5/20 0.34
NPC1 O15118 3/20 0.34
GAA P10253 3/20 0.34
GLA P06280 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
PTBP1 P26599 1/20 0.34

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
SCHEMBL863550 0.74
SCHEMBL204654 0.74 NOS1 (0.44) GAAPARP1CHEK1FLT3PLK3
SCHEMBL16178984 0.74 PARP1 (0.35) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL689339 0.74 ACHE (0.41) ALDH1A1KDM4EHSD17B10MAPTPOLB
SCHEMBL9207975 0.74
SCHEMBL24388617 0.74 NOS1 (0.35) PDPK1
SCHEMBL4217491 0.74 GAA (0.37) ALDH1A1MAPTPOLBNPSR1HPGD
SCHEMBL3716597 0.74 KEAP1 (0.31)
SCHEMBL21120441 0.73
SCHEMBL30958241 0.72 KEAP1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119194645-A High-strength anti-ultraviolet liquid crystal polymer fiber and preparation method thereof 宁波聚嘉新材料科技有限公司 2024-12-27 CN disclosed
US-20230348416-A1 GPR52 MODULATOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-02 US disclosed
US-9526732-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-12-27 US disclosed
US-9526732-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-12-27 US disclosed
EP-3102193-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES Rutgers, The State University of New Jersey (US) 2016-12-14 EP disclosed
US-20150374708-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-12-31 US disclosed
US-20150374708-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-12-31 US disclosed
EP-2771334-B1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES GALDERMA RES & DEV (FR) 2015-08-19 EP disclosed
WO-2015120320-A1 ANTIBACTERIAL AGENTS: N(ALPHA)-AROYL-N-ARYL-PHENYLALANINAMIDES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-13 WO disclosed
US-9090596-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-07-28 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
US-6589724-B1 Polymer compound in the element is sufficient to increase the photographic speed of the element compared to the same element without the compound; increased photographic sensitivity to light EASTMAN KODAK COMPANY 2003-07-08 US disclosed
EP-1312979-A2 Color photographic element containing speed-improving benzotriazole polymer EASTMAN KODAK COMPANY (US) 2003-05-21 EP disclosed
EP-1140862-A1 THROMBIN OR FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000039102-A1 THROMBIN OR FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 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 (2 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-20230348416-A1 GPR52 MODULATOR COMPOUNDS GPR52, GPR119, FFAR2 AXL 2952/4885ALDH1A1 1765/4885KDM4E 3745/4885
US-20150374708-A1 DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED PATHOLOGIES CCL11, CCL2, CCR1 AXL 3513/4885ALDH1A1 618/4885KDM4E 4779/4885

“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.