SCHEMBL3237707

SCHEMBL3237707

O=CCCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ KCNJ1 P48048 2/20 0.53
▸ KCNH2 Q12809 3/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.50
▸ CHRM2 P08172 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.47
▸ IDO1 P14902 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA4 P22748 1/20 0.44

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
SCHEMBL15453242 0.93 TSHR (0.53) TSHRKCNJ1KCNH2LOXL2CHRM2
SCHEMBL15453241 0.93 TSHR (0.53) TSHRKCNJ1KCNH2LOXL2CHRM2
SCHEMBL671515 0.89 TSHR (0.60) TSHRKCNJ1KCNH2LOXL2CHRM2
SCHEMBL18913824 0.84 TSHR (0.69) TSHRKCNJ1KCNH2LOXL2CHRM2
SCHEMBL30758863 0.84 TSHR (0.69) TSHRKCNJ1KCNH2LOXL2CHRM2
SCHEMBL1906879 0.84 TSHR (0.55) TSHRKCNJ1KCNH2LOXL2CHRM2
SCHEMBL3491503 0.80 TSHR (0.56) TSHRSIGMAR1ALDH1A1CYP2C19POLB
SCHEMBL3292782 0.80 TSHR (0.75) TSHRKCNJ1KCNH2LOXL2HRH3
SCHEMBL7317557 0.79 TSHR (0.62) TSHRKCNJ1KCNH2LOXL2CHRM2
SCHEMBL483755 0.78 LOXL2 (0.59) TSHRKCNJ1KCNH2LOXL2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 — — US claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 — — EP claimed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 — — EP claimed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 — — US claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES — 1998-05-22 — — WO claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 — — WO claimed
CN-110950781-A Novel diamine, polyamic acid, and polyimide 日产化学工业株式会社 2020-04-03 — — CN disclosed
US-10023530-B2 Diamine, polyamic acid, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-17 — — US disclosed
US-9896437-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 — — US disclosed
US-9896437-B2 Diarylhydantoin compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 — — US disclosed
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES. LTD. (JP) 2016-09-15 — — US disclosed
US-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-05 — — US disclosed
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 — — EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 — — US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 — — EP disclosed
US-4786755-A ANTAGONISTS, ENZYME INHIBITORS, MEDIATOR RELEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1988-11-22 — — US disclosed
EP-0206567-A2 Compounds of formula [1,1'-biphenyl]-2-carboxylic acid, 2'-[[[(substituted)phenyl]-(substituted)amino]carbonyl]-, pharmaceutical compositions comprising the compounds, and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1986-12-30 — — EP disclosed
US-4602023-A Diphenic acid monoamides WARNER-LAMBERT COMPANY (US) 1986-07-22 — — US disclosed
US-4576910-A ACRYLIC POLYMERS CONTAINING HETEROCYCLIC NITROGEN GROUPS FUJI PHOTO FILM CO., LTD. (JP) 1986-03-18 — — 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 (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-10023530-B2 Diamine, polyamic acid, and polyimide H1-2, H1-4, H1-0 TSHR 2393/4885KCNJ1 4460/4885KCNH2 3803/4885
US-20150065546-A1 DIARYLHYDANTOIN COMPOUNDS BPHL, ACP3, AR TSHR 3193/4885KCNJ1 4175/4885KCNH2 2479/4885
US-20160264520-A1 NOVEL DIAMINE, POLYAMIC ACID, AND POLYIMIDE H1-4, H1-2, H1-5 TSHR 3020/4885KCNJ1 4371/4885KCNH2 3737/4885

“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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