SCHEMBL71817

SCHEMBL71817

O=C(O)c1cn(-c2cc(F)cc(F)c2)nn1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
STS P08842 1/20 0.41
ESRRA P11474 1/20 0.40

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
SCHEMBL70460 0.84 NOTUM (0.58) NOTUMNPC1RAB9ASMN1; SMN2CA2
SCHEMBL70911 0.84 HCAR2 (0.45) NOTUMNPC1RAB9ASMN1; SMN2CA1
SCHEMBL2330243 0.83 CA1 (0.57) NOTUMNPC1RAB9ASMN1; SMN2CA1
SCHEMBL27911606 0.81 CA1 (0.56) NOTUMNPC1RAB9ASMN1; SMN2CA1
SCHEMBL19814723 0.81 NOTUM (0.42) NOTUMNPC1RAB9ASMN1; SMN2CA1
SCHEMBL25333885 0.81 NOTUM (0.56) NOTUMNPC1RAB9ACA1CA2
SCHEMBL69876 0.77 ESRRA (0.62) NOTUMNPC1CA1CA2CA4
SCHEMBL28801446 0.75 ESRRA (0.60) NOTUMNPC1CA1CA2CA4
SCHEMBL19814199 0.74 ACKR3 (0.53) NOTUM
SCHEMBL30413027 0.74 NOTUM (0.37) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US claimed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO claimed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
US-10973810-B2 Methods for the treatment of neurological disorders YUMANITY THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
EP-3566055-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Yumanity Therapeutics, Inc. (US) 2019-11-13 EP disclosed
WO-2018129403-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS (US) 2018-07-12 WO disclosed
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2018-07-12 US disclosed
EP-1572647-B1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BASF SE (DE) 2016-09-21 EP disclosed
US-8822702-B2 Synthesis of amines and intermediates for the synthesis thereof BASF SE (DE) 2014-09-02 US disclosed
US-8710093-B2 Synthesis of amines and intermediates for the synthesis thereof BASF SE Ludwigshafen (DE) 2014-04-29 US disclosed
EP-2666772-A1 Synthesis of amines and intermediates for the synthesis thereof BASF SE (DE) 2013-11-27 EP disclosed
US-20100087660-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF BASF SE (DE) 2010-04-08 US disclosed
EP-1751104-B1 SYNTHESIS METHODS AND INTERMEDIATES FOR THE MANUFACTURE OF RIZATRIPTAN RATIOPHARM GMBH (DE) 2010-03-24 EP disclosed
US-7645886-B2 Synthesis of amines and intermediates for the synthesis thereof Ciba Specialty Corporation (US) 2010-01-12 US disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
US-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan RATIOPHARM GMBH (DE) 2007-05-31 US disclosed
US-20060058367-A1 Synthesis of amines and intermediates for the synthesis thereof CIBA CORPORATION 2006-03-16 US disclosed
EP-1572647-A2 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF Ciba SC Holding AG (CH) 2005-09-14 EP disclosed
WO-2004056769-A2 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-07-08 WO 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 (6 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-10973810-B2 Methods for the treatment of neurological disorders NLN, CLN6, OTC NOTUM 1306/4885NPC1 356/4885RAB9A 2204/4885
US-20100087660-A1 SYNTHESIS OF AMINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF PNMT, HNMT, SMS NOTUM 537/4885NPC1 3787/4885RAB9A 3336/4885
US-20060058367-A1 Synthesis of amines and intermediates for the synthesis thereof PNMT, HNMT, MAOA NOTUM 438/4885NPC1 3612/4885RAB9A 3270/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 NOTUM 86/4885NPC1 201/4885RAB9A 3858/4885
US-20180193325-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC NOTUM 1306/4885NPC1 356/4885RAB9A 2204/4885
US-20070123711-A1 Synthesis methods and intermediates for the manufacture of rizatriptan HTR7, HRH4, CA7 NOTUM 1084/4885NPC1 2398/4885RAB9A 881/4885

“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.