SCHEMBL6335017

SCHEMBL6335017

O=C(CBr)c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.66
GPR84 Q9NQS5 1/20 0.65
CTNNB1 P35222 5/20 0.64
WNT3A P56704 5/20 0.64
ALDH1A1 P00352 2/20 0.61
PBRM1 Q86U86 1/20 0.61
ATM Q13315 1/20 0.61
LMNA P02545 1/20 0.60
KMT2A Q03164 2/20 0.57
MAPK1 P28482 1/20 0.56
NR4A2 P43354 1/20 0.56
CREBBP Q92793 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
AANAT Q16613 1/20 0.54

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
SCHEMBL29722237 1.00 ADAM17 (0.66) ADAM17GPR84CTNNB1WNT3AALDH1A1
SCHEMBL4056357 0.84 ADAM17 (0.68) ADAM17GPR84CTNNB1WNT3AALDH1A1
SCHEMBL3717752 0.84 ADAM17 (0.68) ADAM17GPR84CTNNB1WNT3AALDH1A1
SCHEMBL32685253 0.84 ADAM17 (0.68) ADAM17GPR84CTNNB1WNT3AALDH1A1
SCHEMBL1903034 0.82 ADAM17 (0.66) ADAM17GPR84CTNNB1WNT3AALDH1A1
SCHEMBL30839501 0.82 ADAM17 (0.66) ADAM17GPR84CTNNB1WNT3AALDH1A1
SCHEMBL31295276 0.82 ADAM17 (0.66) ADAM17GPR84CTNNB1WNT3AALDH1A1
SCHEMBL7007977 0.82 ADAM17 (0.66) ADAM17GPR84CTNNB1WNT3AALDH1A1
SCHEMBL4859074 0.81 CTNNB1 (0.67) ADAM17GPR84CTNNB1WNT3AALDH1A1
SCHEMBL6518029 0.81 ADAM17 (0.73) ADAM17GPR84CTNNB1WNT3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380815-A Phytoalexin derivative and preparation method and application thereof 河北工业大学 2022-04-22 CN disclosed
CN-107810961-B Application of Topsentin alkaloid in resisting plant viruses and germs 南开大学 2021-04-02 CN disclosed
CN-107814790-B Topsentin derivative, preparation method thereof and application thereof in resisting plant viruses and germs 南开大学 2021-03-30 CN disclosed
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents PHARMACIA & UPJOHN COMPANY 2005-03-03 US disclosed
US-6841685-B2 Methods for making bis-heterocyclic alkaloids STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2005-01-11 US disclosed
WO-2004106345-A2 HETEROARYL-ETHANOLAMINE DERIVATIVES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2004-12-09 WO disclosed
US-20030232988-A1 Methods for making bis-heterocyclic alkaloids STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY,THE 2003-12-18 US disclosed
EP-1026170-B1 Erythromycin derivatives, their preparation and use as medicaments AVENTIS PHARMA SA (FR) 2003-01-15 EP disclosed
WO-2001094310-A1 METHODS FOR MAKING BIS-HETEROCYCLIC ALKALOIDS THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2001-12-13 WO disclosed
US-6313101-B1 ANTIBIOTICS AVENTIS PHARMA S.A. (FR) 2001-11-06 US disclosed
EP-1026170-A1 Erythromycin derivatives, their preparation and use as medicaments HOECHST MARION ROUSSEL (FR) 2000-08-09 EP disclosed
US-5492919-A IRRITABLE BOWEL DISORDER SMITHKLINE BEECHAM P.L.C. (GB) 1996-02-20 US disclosed
EP-0596933-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-05-18 EP disclosed
WO-1993002677-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-02-18 WO disclosed
US-4650800-A Substituted pyrimidin-2-ones, the salts thereof, pharmaceutical compositions containing them and a method therefor GLAXO GROUP LIMITED 1987-03-17 US disclosed
EP-0084941-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-11 EP disclosed
US-4528282-A Amide derivatives IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-07-09 US disclosed
EP-0044705-B1 SUBSTITUTED PYRIMIDIN-2-ONES, THE SALTS THEREOF, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND A METHOD THEREFOR GLAXO GROUP LIMITED (GB) 1984-11-14 EP disclosed
EP-0084941-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-08-03 EP disclosed
EP-0044705-A1 Substituted pyrimidin-2-ones, the salts thereof, processes for their preparation, pharmaceutical compositions containing them and a method therefor GLAXO GROUP LIMITED (GB) 1982-01-27 EP 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-20030232988-A1 Methods for making bis-heterocyclic alkaloids CIAPIN1, AAAS, MDN1 ADAM17 1557/4885GPR84 3098/4885CTNNB1 2965/4885
US-20050049245-A1 Heteroaryl-ethanolamine derivatives as antiviral agents RPL35, ZC3HAV1, RPL5 ADAM17 4219/4885GPR84 925/4885CTNNB1 4726/4885

“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.