SCHEMBL2432676

SCHEMBL2432676

Clc1ccc(C#CCBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
KCNH2 Q12809 4/20 0.45
CYP2A6 P11509 1/20 0.38
GRM5 P41594 1/20 0.36
DRD2 P14416 2/20 0.36
GSK3B P49841 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ACACB O00763 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 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
SCHEMBL2176081 0.80 CHRNA7 (0.40) LMNAKCNH2MEN1KMT2ACYP1A2
SCHEMBL508102 0.78 PYCR1 (0.41) LMNAKCNH2CYP2A6GSK3BMAOA
SCHEMBL9484463 0.78 LMNA (0.47) LMNAKCNH2CYP2A6GRM5DRD2
SCHEMBL16380473 0.76 KCNH2 (0.53) LMNAKCNH2CYP2A6GRM5MEN1
SCHEMBL1066892 0.76 KCNH2 (0.53) LMNAKCNH2CYP2A6GRM5GSK3B
SCHEMBL5079375 0.76 LMNA (0.46) LMNAKCNH2CYP2A6GRM5DRD2
SCHEMBL1746428 0.76 LMNA (0.50) LMNAKCNH2CYP2A6DRD2MEN1
SCHEMBL2080824 0.76 CYP2C19 (0.60) LMNAKCNH2CYP2A6GRM5DRD2
SCHEMBL565489 0.76 APP (0.36) LMNAKCNH2GSK3BCYP1A2CYP3A4
SCHEMBL5079648 0.76 LMNA (0.46) LMNAKCNH2CYP2A6GRM5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362011-B2 Tricyclic triazolic compounds LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-01-29 US disclosed
US-8362011-B2 Tricyclic triazolic compounds LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-01-29 US disclosed
EP-2227476-B1 TRICYCLIC TRIAZOLIC COMPOUNDS ESTEVE LABOR DR (ES) 2011-09-07 EP disclosed
US-20100298309-A1 TRICYCLIC TRIAZOLIC COMPOUNDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-11-25 US disclosed
US-20100298309-A1 TRICYCLIC TRIAZOLIC COMPOUNDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-11-25 US disclosed
EP-2227476-A1 TRICYCLIC TRIAZOLIC COMPOUNDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-09-15 EP disclosed
EP-2070933-A1 Tricyclic triazolic compounds Laboratorios del Dr. Esteve S.A. (ES) 2009-06-17 EP disclosed
WO-2009071657-A1 TRICYCLIC TRIAZOLIC COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-11 WO disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-6949661-B2 3-substituted-3-(substitutedsulfonyl or sulfanyl) pyrrolidine-2,5-diones useful for inhibition of farnesyl-protein transferase WYETH HOLDINGS CORPORATION (US) 2005-09-27 US disclosed
EP-0749430-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PROD (US) 1999-08-25 EP disclosed
US-5605918-A SUBSTITUTED THIAZOLIDINE-2,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-02-25 US disclosed
EP-0749430-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-27 EP disclosed
US-5574051-A HYPOGLYCEMIC AMERICAN HOME PRODUCTS CORPORATION (US) 1996-11-12 US disclosed
WO-1995024400-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTI-HYPERGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-14 WO disclosed
EP-0351194-B1 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity ICI PLC (GB) 1994-06-15 EP disclosed
US-5196422-A Antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-03-23 US disclosed
US-5089513-A Antiinflammatory agents; antiallergens; asthma; side effect reduction ICI PHARMA (FR) 1992-02-18 US disclosed
US-4933367-A Carboxylic acid derivatives, processes for the preparation thereof, the use thereof, and pharmaceutical compositions which contain these compounds BOEHRINGER MANNHEIM GMBH (DE) 1990-06-12 US disclosed
EP-0351194-A2 Thiazole derivatives having a 5-lipoxygenase-inhibiting activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-17 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 (1 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-20100298309-A1 TRICYCLIC TRIAZOLIC COMPOUNDS SIGMAR1, OPRK1, OPRM1 LMNA 2305/4885KCNH2 1421/4885CYP2A6 545/4885

“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.