SCHEMBL6963606

SCHEMBL6963606

O=Cc1cc2ccc(F)cc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.58
GFER P55789 2/20 0.38
AXL P30530 1/20 0.38
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
CHRNA7 P36544 2/20 0.36
HTR3A P46098 2/20 0.36

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
SCHEMBL18003096 0.86 CYP2A6 (0.51) CYP2A6NPC1RAB9AALDH1A1LMNA
SCHEMBL793305 0.85 CYP2A6 (0.62) CYP2A6GFERAXLTUBB4ATUBB
SCHEMBL23775695 0.78 CYP2A6 (0.60) CYP2A6RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2083165 0.77 CYP2A6 (0.58) CYP2A6CHRNA7NPC1RAB9AALDH1A1
SCHEMBL4385517 0.77 CYP2A6 (0.58) CYP2A6GFERCHRNA7NPC1RAB9A
SCHEMBL21234909 0.77 CYP2A6 (0.58) CYP2A6MAPT
SCHEMBL30197462 0.77 CYP2A6 (0.58) CYP2A6CHRNA7NPC1RAB9AALDH1A1
SCHEMBL20391352 0.77 CYP2A6 (0.58) CYP2A6ALDH1A1
SCHEMBL12683402 0.77 CYP2A6 (0.61) CYP2A6
SCHEMBL3608675 0.77 CYP2A6 (0.53) CYP2A6CHRNA7DYRK1A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3251679-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2020-12-16 EP disclosed
EP-3251679-A1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER Mitsubishi Tanabe Pharma Corporation (JP) 2017-12-06 EP disclosed
EP-2896397-B1 Novel compounds having inhibitory activity against sodium-dependant glucose transporter MITSUBISHI TANABE PHARMA CORP (JP) 2017-09-06 EP disclosed
EP-2896397-A1 Novel compounds having inhibitory activity against sodium-dependant glucose transporter Mitsubishi Tanabe Pharma Corporation (JP) 2015-07-22 EP disclosed
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
EP-2514756-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT GLUCOSE TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2014-12-17 EP disclosed
US-8841447-B2 Process for the preparation of alogliptin MAPI PHARMA LTD. (IL) 2014-09-23 US disclosed
US-8778932-B2 Dihydro-oxazolobenzodiazepinone compounds, a process for there preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2014-07-15 US disclosed
EP-2497774-B1 Dihydro-oxazolobenzodiazepinone derivatives, processes for their preparation and pharmaceutical compositions comprising these compounds SERVIER LAB (FR) 2013-10-16 EP disclosed
EP-1651658-B1 NOVEL COMPOUNDS HAVING INHIBITORY ACTIVITY AGAINST SODIUM-DEPENDANT TRANSPORTER MITSUBISHI TANABE PHARMA CORP (JP) 2013-01-16 EP disclosed
CN-102675341-A Dihydro-triazole and benzo two nitrogen heterocyclic ketones compound, processes for their preparation and pharmaceutical compositions comprising these compounds SERVIER LAB 2012-09-19 CN disclosed
US-20120232065-A1 DIHYDRO-OXAZOLOBENZODIAZEPINONE COMPOUNDS, A PROCESS FOR THERE PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EGIS GYOGYSZERGYAR NYRT (HU) 2012-09-13 US disclosed
WO-2012120206-A1 NOVEL DIHYDRO-OXAZOLOBENZODIAZEPINONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2012-09-13 WO disclosed
EP-2497774-A1 Dihydro-oxazolobenzodiazepinone derivatives, processes for their preparation and pharmaceutical compositions comprising these compounds Les Laboratoires Servier (FR) 2012-09-12 EP disclosed
EP-0974584-B1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-15 EP disclosed
US-6420375-B1 ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-0974584-A1 FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-01-26 EP disclosed
EP-0483647-A1 Hydrazine compounds or their salts, processes for producing them and pesticides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 1992-05-06 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-20120232065-A1 DIHYDRO-OXAZOLOBENZODIAZEPINONE COMPOUNDS, A PROCESS FOR THERE PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GRIN2C, GRIN2B, GRIN2A CYP2A6 179/4885GFER 3800/4885AXL 3245/4885

“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.