SCHEMBL10035756

SCHEMBL10035756

N=Nc1ccc(CO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.50
▸ NOS1 P29475 3/20 0.50
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ VHL P40337 1/20 0.38
▸ ELOC Q15369 1/20 0.38
▸ ELOB Q15370 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 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
SCHEMBL12108414 0.80 CA2 (0.52) NOS3NOS1TSHRCA12CA1
SCHEMBL14690091 0.78 NOS3 (0.54) NOS3NOS1PRSS1PRSS2PRSS3
SCHEMBL41775 0.76 TSHR (0.67) NOS3NOS1PRSS1PRSS2PRSS3
SCHEMBL10073625 0.76 TSHR (0.46) TSHRADRA2AADRA2BADRA2C
SCHEMBL24507952 0.75 CA2 (0.47) LTA4HCA2ADRA2AADRA2BADRA2C
SCHEMBL18815313 0.74 PRSS1 (0.44) NOS3NOS1PRSS1PRSS2PRSS3
SCHEMBL24587489 0.74 NOS3 (0.50) NOS3NOS1PRSS1PRSS2PRSS3
SCHEMBL13946507 0.74 NOS3 (0.50) NOS3NOS1PRSS1PRSS2PRSS3
SCHEMBL24423474 0.74 NOS3 (0.52) NOS3NOS1CA12CA1CA2
SCHEMBL29413339 0.73 TSHR (0.62) NOS3NOS1PRSS1PRSS2PRSS3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024041586-A1 PRODRUG OF JAK KINASE INHIBITOR 启元生物(杭州)有限公司 2024-02-29 — — WO disclosed
US-20170320834-A1 TRIAZABUTADIENES AS CLEAVABLE CROSS-LINKERS THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2017-11-09 — — US disclosed
US-9593080-B1 Triazabutadienes as cleavable cross-linkers THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-03-14 — — US disclosed
US-8362559-B2 Hybrid molecular electronic devices containing molecule-functionalized surfaces for switching, memory, and sensor applications and methods for fabricating same WILLIAM MARSH RICE UNIVERSITY (US) 2013-01-29 — — US disclosed
US-8361908-B2 Modified surface material, method for preparing same and uses thereof UNIVERSITE PARIS 7-DENIS DIDEROT (FR) 2013-01-29 — — US disclosed
US-8207244-B2 Visible light absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-06-26 — — US disclosed
US-20120015138-A1 MODIFIED SURFACE MATERIAL, METHOD FOR PREPARING SAME AND USES THEREOF ALCHIMEDICS (FR) 2012-01-19 — — US disclosed
US-8053567-B2 forming undercoatings on semiconductor by polymerizing monomers with diazonium salt which can electrochemical reduction having a polymerization initiator function; in situ free radical polymerization; stents, implants, prostheses; corrosion resistance Universite Paris 7—Denis Diderot (FR) 2011-11-08 — — US disclosed
US-20100252824-A1 Hybrid Molecular Electronic Devices Containing Molecule-Functionalized Surfaces for Switching, Memory, and Sensor Applications and Methods for Fabricating Same WILLIAM MARSH RICE UNIVERSITY (US) 2010-10-07 — — US disclosed
US-20080258179-A1 Hybrid molecular electronic device for switching, memory, and sensor applications, and method of fabricating same WILLIAM MARSH RICE UNIVERSITY (US) 2008-10-23 — — US disclosed
US-20080064783-A1 Modified Surface Material, Method for Preparing Same and Uses Thereof ALCHIMEDICS (FR) 2008-03-13 — — US 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-20170320834-A1 TRIAZABUTADIENES AS CLEAVABLE CROSS-LINKERS WRN, TNKS, JMJD7 NOS3 4419/4885NOS1 4210/4885PRSS1 3084/4885
US-20080064783-A1 Modified Surface Material, Method for Preparing Same and Uses Thereof SOAT2, SOAT1, INMT NOS3 60/4885NOS1 37/4885PRSS1 4230/4885

“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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