SCHEMBL1968471

SCHEMBL1968471

Fc1ccccc1-c1[c]nccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.38
NPC1 O15118 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.35
NOTUM Q6P988 1/20 0.35
IDO1 P14902 1/20 0.35
MBNL1 Q9NR56 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.34
MPL P40238 1/20 0.34
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
BACE1 P56817 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 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
SCHEMBL3475670 0.85 CCNE2 (0.36) CCNE2CCNE1CDK2
SCHEMBL2433245 0.78 NPC1 (0.33) NPC1RAB9AGABRG2GABRB3GABRA5
SCHEMBL3758938 0.76 ALDH1A1 (0.46) NPC1KDM4EALDH1A1IDO1DCUN1D1
SCHEMBL3751745 0.76 IDO1 (0.41) NPC1KDM4EALDH1A1IDO1DCUN1D1
SCHEMBL1965907 0.76 CYP2A6 (0.40) NPC1KDM4EALDH1A1NOTUMIDO1
SCHEMBL3759979 0.76 NPC1 (0.39) NISCHNPC1KDM4EALDH1A1IDO1
SCHEMBL1968466 0.76 HSD11B1 (0.42) ALDH1A1NOTUMBACE1TDP1
SCHEMBL4909130 0.75
SCHEMBL2589450 0.74 GABRG2 (0.37) KDM4EL3MBTL1TDP1GABRG2GABRB3
SCHEMBL1115099 0.73 NISCH (0.41) NISCHNPC1KDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004076452-A1 5,8-DIFLUOROIMIDAZO[1,2-a]PYRIDINES AS GABA-A α2/α3 LIGANDS FOR TREATING ANXIETY AND/OR DEPRESSION MERCK SHARP & DOHME LIMITED (GB) 2004-09-10 WO claimed
WO-2022270430-A1 MIXED POWDER, MIXTURE, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2022-12-29 WO disclosed
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8497382-B2 Carboxylic acid derivative containing thiazole ring and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-30 US disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
EP-2380884-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2011-10-26 EP disclosed
US-20110237630-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-29 US disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 US disclosed
EP-1511748-B1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2006-08-09 EP disclosed
US-20060148809-A1 Pyridazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-07-06 US disclosed
US-20060052385-A1 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2006-03-09 US disclosed
EP-1532136-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-05-25 EP disclosed
EP-1511748-A1 8-FLUORIMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-03-09 EP disclosed
WO-2004014891-A1 PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2004-02-19 WO disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
WO-2003099817-A1 8-FLUORIMIDAZO`1,2-A!PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-12-04 WO disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 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-20060148809-A1 Pyridazine derivatives as ligands for gaba receptors GABRA5, GABRA3, GABRA2 NISCH 2374/4885NPC1 3302/4885KDM4E 3075/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 NISCH 1156/4885NPC1 812/4885KDM4E 4633/4885
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 NISCH 2974/4885NPC1 1501/4885KDM4E 3280/4885
US-20060052385-A1 8-Fluoroimidazo 1,2-a pyridine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA5 NISCH 3640/4885NPC1 2144/4885KDM4E 3108/4885
US-20110237630-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF PPARA, PPARD, PPARG NISCH 4095/4885NPC1 380/4885KDM4E 1623/4885

“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.