SCHEMBL856127

SCHEMBL856127

O=C=NCc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
NAPRT Q6XQN6 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CHRNA7 P36544 2/20 0.46
CYP2A6 P11509 1/20 0.43
FDPS P14324 2/20 0.42
RECQL P46063 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK10 P53779 1/20 0.41
TBXAS1 P24557 1/20 0.41

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
SCHEMBL30142989 1.00 CHRNB2 (0.48) CHRNB2CHRNA4NAPRTCYP1A2CYP2D6
Tetrahydrofuran SCHEMBL28632646 0.87 ALDH1A1 (0.42) CHRNB2CHRNA4NAPRTCYP1A2CYP2D6
SCHEMBL17168324 0.81 CHRNA7 (0.52) CHRNB2CHRNA4NAPRTCYP1A2CYP2D6
SCHEMBL1027113 0.81 MIF (0.59) CHRNB2CHRNA4NAPRTCYP1A2CYP2D6
Bromide SCHEMBL2337339 0.79 MIF (0.57) CHRNB2CHRNA4NAPRTCYP1A2CYP2D6
SCHEMBL3936550 0.79 CYP1A2 (0.58) CHRNB2CHRNA4NAPRTCYP1A2CYP2D6
SCHEMBL18500410 0.78
SCHEMBL11033045 0.75 LOXL2 (0.41) CYP1A2CYP2D6FDPSCYP3A4CYP2C9
SCHEMBL8193469 0.75 NAAA (0.44) CHRNB2CHRNA4NAPRTCYP1A2CYP2D6
SCHEMBL1172136 0.74 MIF (0.60) CYP2A6CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117926640-A Environment-friendly decorative paper and preparation method thereof 浙江锦尚添彩新材料有限公司 2024-04-26 CN claimed
CN-117926640-B Environment-friendly decorative paper and preparation method thereof 浙江锦尚添彩新材料有限公司 2025-05-06 CN disclosed
CN-117926640-A Environment-friendly decorative paper and preparation method thereof 浙江锦尚添彩新材料有限公司 2024-04-26 CN disclosed
CN-111848506-B Biphenyl urea compound and pharmaceutical composition, preparation method and application thereof 中国药科大学 2023-01-31 CN disclosed
CN-113717159-A Indolone compounds and pharmaceutical composition, preparation method and application thereof 中国药科大学 2021-11-30 CN disclosed
CN-111848506-A Biphenyl urea compound and pharmaceutical composition, preparation method and application thereof 中国药科大学 2020-10-30 CN disclosed
CN-108530444-A A kind of novel NAMPT and IDO double inhibitors and preparation method thereof and medical usage 中国药科大学 2018-09-14 CN disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-5919811-A NEURODEGENERATIVE DISORDERS GLAXO WELLCOME S.P.A. (IT) 1999-07-06 US disclosed
EP-0813524-A1 INDOLE DERIVATIVES AS EAA ANTAGONISTS GLAXO WELLCOME S.p.A. (IT) 1997-12-29 EP disclosed
EP-0767800-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-04-16 EP disclosed
US-5571792-A Histidine and homohistidine derivatives as inhibitors of protein farnesyltransferase WARNER-LAMBERT COMPANY (US) 1996-11-05 US disclosed
WO-1996027588-A1 INDOLE DERIVATIVES AS EAA ANTAGONISTS GLAXO WELLCOME S.P.A. (IT) 1996-09-12 WO disclosed
WO-1996000736-A1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1996-01-11 WO disclosed
EP-0004187-B1 HETEROCYCLYLCARBONYL DERIVATIVES OF UREA AND THEIR USE AS AGENTS FOR DISSOLUTION OF GALLSTONES PFIZER INC. (US) 1982-03-17 EP disclosed
US-4252957-A GALLSTONE SOLVENTS PFIZER INC. (US) 1981-02-24 US disclosed
EP-0004187-A1 Heterocyclylcarbonyl derivatives of urea and their use as agents for dissolution of gallstones PFIZER INC. (US) 1979-09-19 EP disclosed
US-4163784-A ACYLUREA DERIVATIVES PFIZER INC. (US) 1979-08-07 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-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CHRNB2 4251/4885CHRNA4 4756/4885NAPRT 1278/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 CHRNB2 4251/4885CHRNA4 4756/4885NAPRT 1278/4885

“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.