SCHEMBL1119554

SCHEMBL1119554

c1ccc(-c2cn(-c3ccccc3)nn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.66
CA1 P00915 2/20 0.66
CA2 P00918 2/20 0.66
CA5A P35218 2/20 0.66
CA5B Q9Y2D0 2/20 0.66
CA12 O43570 1/20 0.66
CA9 Q16790 1/20 0.66
PTGS1 P23219 1/20 0.66
BCHE P06276 1/20 0.61
KEAP1 Q14145 1/20 0.60
NFE2L2 Q16236 1/20 0.60
OGT O15294 2/20 0.57
HSD17B1 P14061 2/20 0.56
HSD17B2 P37059 2/20 0.56
CDC7 O00311 1/20 0.55
FLT3 P36888 3/20 0.54
GSK3B P49841 2/20 0.54
P2RX7 Q99572 1/20 0.53
MIF P14174 1/20 0.53
CYP19A1 P11511 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
Bromide SCHEMBL6256547 0.98 PTGS2 (0.64) PTGS2CA1CA2CA5ACA5B
SCHEMBL26628312 0.92 PTGS2 (0.67) PTGS2CA1CA2CA5ACA5B
SCHEMBL16271178 0.89 FLT3 (0.66) PTGS2CA1CA2CA5ACA5B
SCHEMBL17002364 0.88 CA2 (0.58) PTGS2CA1CA2CA5ACA5B
SCHEMBL23086229 0.87 HSD17B1 (0.74) PTGS2CA1CA2CA5ACA5B
SCHEMBL11904306 0.87 CA1 (0.57) PTGS2CA1CA2CA5ACA5B
SCHEMBL12420373 0.87 FLT3 (0.69) PTGS2CA1CA2CA5ACA5B
SCHEMBL12522541 0.87 FLT3 (0.73) PTGS2CA1CA2CA5ACA5B
SCHEMBL12420378 0.87 FLT3 (0.69) PTGS2CA1CA2CA5ACA5B
SCHEMBL714850 0.87 PTGS2 (0.54) PTGS2CA1CA2CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024259294-A2 PROTEOMIMETIC SCAFFOLDS AND USES THEREOF NEW YORK UNIVERSITY (US) 2024-12-19 WO claimed
CN-118406090-A Neutral triisocomplex iridium complex containing dithioformic acid derivative coordination, and preparation method and application thereof 深圳信息职业技术学院 2024-07-30 CN claimed
CN-117946017-A Biphenyl triazole derivative and preparation method and application thereof 安徽医科大学 2024-04-30 CN claimed
WO-2024046311-A1 COMPOSITION USED FOR KILLING FUNGI AND METHOD FOR APPLYING COMPOSITION 江苏中旗科技股份有限公司 2024-03-07 WO claimed
EP-4219635-A2 ALUMINIUM ALLOY COATED PIGMENTS AND CORROSION-RESISTANT COATINGS The United States Of America As Represented By The Secretary of the Navy (US) 2023-08-02 EP claimed
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US claimed
US-11659766-B2 Organic semiconductor material for electron transport DAEGU GYEONGBUK INSTITUTE OF SCIENCE & TECHNOLOGY (KR) 2023-05-23 US claimed
EP-4087584-A2 CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES Lycia Therapeutics, Inc. (US) 2022-11-16 EP claimed
CN-115315263-A Cell surface receptor binding compounds and conjugates 利西亚治疗公司 2022-11-08 CN claimed
WO-2022166842-A1 COMPOSITION COMPRISING BENZYLAMINE ACARICIDE AND USE THEREOF 山东康乔生物科技有限公司 2022-08-11 WO claimed
US-20140084221-A1 Coated Aluminum Alloy Pigments and Corrosion-Resistant Coatings MATZDORF CRAIG (US) 2014-03-27 US claimed
WO-2014022004-A1 OXIDE COATED METAL PIGMENTS AND FILM-FORMING COMPOSITIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2014-02-06 WO claimed
US-20130168612-A1 Oxide Coated Metal Pigments and Film-Forming Compositions UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-07-04 US claimed
WO-2013090610-A1 BULK POLYMER COMPOSITES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-20 WO claimed
US-8277688-B2 Aluminum alloy coated pigments and corrosion-resistant coatings THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-10-02 US claimed
US-8262938-B2 Active aluminum rich coatings The United States of America, as represented by the Secretary of the Navy. (US) 2012-09-11 US claimed
US-20120187350-A1 ALUMINUM ALLOY COATED PIGMENTS AND CORROSION-RESISTANT COATINGS UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2012-07-26 US claimed
US-20120187343-A1 ACTIVE ALUMINUM RICH COATINGS UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2012-07-26 US claimed
CN-101704793-A 5-alkenyl-1, 4-disubstituted-1, 2, 3-triazole compound, preparation method and application thereof UNIV SOUTH CHINA TECH 2010-05-12 CN claimed
EP-0674626-B1 SELECTIVE AROMATASE INHIBITING COMPOUNDS RISTO ARVO SAKARI LAMMINTAUSTA (FI) 2000-07-19 EP claimed

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-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates M6PR, ASGR1, IGF2R PTGS2 4783/4885CA1 3431/4885CA2 3060/4885

“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.