Sugi Predict

Sugi Predict / Compounds / SCHEMBL643635

SCHEMBL643635

SCHEMBL643635

N#Cc1c[c]c2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ TSHR P16473 1/20 0.39
▸ CYP19A1 P11511 1/20 0.34
▸ CYP2A6 P11509 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ IMPDH2 P12268 1/20 0.32
▸ IMPDH1 P20839 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ PLG P00747 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL5749242 0.85 CA1 (0.40) CA1CA2TSHRCYP19A1CYP2A6
SCHEMBL461053 0.80 CYP1A1 (0.44) —
SCHEMBL21858047 0.78 APP (0.46) CA1CA2KDM4EALDH1A1MEN1
SCHEMBL1484115 0.77 CYP1A1 (0.47) —
SCHEMBL16289701 0.77 ASIC3 (0.31) —
SCHEMBL16586183 0.76 KDM4E (0.33) CYP2A6IMPDH2IMPDH1KDM4EMAOA
SCHEMBL16585928 0.76 KDM4E (0.33) CYP2A6IMPDH2IMPDH1KDM4EMAOA
SCHEMBL21858112 0.76 ASIC3 (0.44) CA1CA2CYP2A6ALDH1A1PLAU
SCHEMBL645489 0.74 CA1 (0.44) CA1CA2TSHRCYP19A1CYP2A6
SCHEMBL5748847 0.73 CA1 (0.47) CA1CA2TSHRCYP19A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 — — US claimed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 — — US claimed
EP-1169302-B1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-09-29 — — EP claimed
US-20040106610-A1 Compounds BERNSTEIN PETER ROBERT (US) 2004-06-03 — — US claimed
US-6586432-B2 Peptide neurotransmitter suppressors such as N-((-2-(3,4-dichlorophenyl)-4-morholino)butyl)-N-methyl-2-methoxy-3-cyano-1 -naphthamide, used for prophylaxis of arthritis, pain, alzheimer's disease, schizophrenia, edema, rhinitis or asthma ASTRAZENELA AB (SE) 2003-07-01 — — US claimed
US-20030092713-A1 Neurokinin-1 receptor antagonists BERNSTEIN PETER ROBERT (US) 2003-05-15 — — US claimed
JP-2002541137-A — — 2002-12-03 — — JP claimed
US-6476077-B1 N-(2-phenyl-4-amino-butyl)-1-naphthamides as neurokinin-1 receptor antagonists ASTRAZENECA AB (SE) 2002-11-05 — — US claimed
EP-1169302-A1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-01-09 — — EP claimed
WO-2000059873-A1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-10-12 — — WO claimed
EP-3749631-B1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2024-03-06 — — EP disclosed
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 — — US disclosed
CN-111094223-B binaphthyl compounds 罗伊特化学仪器制造公司 2023-10-27 — — CN disclosed
US-11760712-B2 Triarylmethane compounds MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-09-19 — — US disclosed
CN-112175178-B Polycarbonate and preparation method and application thereof 万华化学集团股份有限公司 2023-04-11 — — CN disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 — — EP disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 — — EP disclosed
EP-0583971-A1 Piperidine derivatives SANKYO COMPANY LIMITED (JP) 1994-02-23 — — EP disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 — — EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 — — 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 (5 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-20040106610-A1 Compounds NR2C2, NR0B2, NR5A2 CA1 3229/4885CA2 2210/4885TSHR 703/4885
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885TSHR 1467/4885
US-11760712-B2 Triarylmethane compounds CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885TSHR 1467/4885
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 CA1 3881/4885CA2 3417/4885TSHR 1467/4885
US-20030092713-A1 Neurokinin-1 receptor antagonists NTSR2, NTSR1, CRHR2 CA1 1172/4885CA2 627/4885TSHR 216/4885

“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.