Sugi Predict

Sugi Predict / Compounds / SCHEMBL11452811

SCHEMBL11452811

SCHEMBL11452811

Cc1ccc(C(N)C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CHRNA7 P36544 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ ACHE P22303 2/20 0.38
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 3/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 1/20 0.33

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
Hydrochloric Acid SCHEMBL5685460 0.98 ALDH1A1 (0.42) ALDH1A1CYP2A6GAALMNATDP1
SCHEMBL15775533 0.81 HTT (0.40) ALDH1A1GAALMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL15775498 0.79 IDO1 (0.41) ALDH1A1GAALMNASMN1; SMN2KDM4E
SCHEMBL15775880 0.77 CYP2A6 (0.50) ALDH1A1CYP2A6TDP1SMN1; SMN2KDM4E
SCHEMBL15775310 0.77 CYP2A6 (0.50) ALDH1A1CYP2A6TDP1SMN1; SMN2KDM4E
SCHEMBL15775383 0.77 CYP2A6 (0.50) ALDH1A1CYP2A6TDP1SMN1; SMN2KDM4E
SCHEMBL12532131 0.76 LMNA (0.46) ALDH1A1LMNATDP1SMN1; SMN2KDM4E
SCHEMBL393215 0.76 ADRB2 (0.50) ALDH1A1CYP2A6GAALMNATDP1
SCHEMBL21263995 0.76 CHRNA7 (0.39) ALDH1A1CYP2A6LMNATDP1CHRNA7
SCHEMBL16123647 0.76 CYP19A1 (0.44) ALDH1A1CYP2A6OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 — — US claimed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 — — EP claimed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 — — WO claimed
WO-2019157417-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-15 — — WO disclosed
EP-2427435-B1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2017-06-14 — — EP disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 — — US disclosed
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 — — US disclosed
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 — — EP disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 — — US disclosed
US-9120756-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-09-01 — — US disclosed
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 — — US disclosed
WO-2010127856-A1 SUBSTITUTED PHENYLLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 — — WO disclosed
US-20090156643-A1 Substituted isoxazoline compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-06-18 — — US disclosed
WO-2008121076-A1 TITANIUM COMPOUND AND PROCESS FOR ASYMMETRIC CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2008-10-09 — — WO disclosed
US-4212806-A ANTIINFLAMMATORY, ANTIPYRETIC, ANALGESIC, ANTIDEPRESSANT GRUPPO LEPETIT S.P.A. (IT) 1980-07-15 — — US disclosed
US-4211709-A ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1980-07-08 — — US disclosed
US-4211708-A ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1980-07-08 — — US disclosed
US-4198502-A ANTIINFLAMMATORY AGENT, CNS DEPRESSANTS, ANALGESICS, ANTIPYRETICS, ANTIULCER AGENTS GRUPPO LEPETIT S.P.A. (IT) 1980-04-15 — — US disclosed
US-4140696-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND CNS DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1979-02-20 — — 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-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 ALDH1A1 2236/4885CYP2A6 684/4885GAA 1757/4885
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS HDAC7, PSMB7, IKZF3 ALDH1A1 1540/4885CYP2A6 1722/4885GAA 453/4885
US-20090156643-A1 Substituted isoxazoline compound and pesticide HCRTR1, CBR1, CHRM1 ALDH1A1 201/4885CYP2A6 567/4885GAA 4547/4885

“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.