SCHEMBL787256

SCHEMBL787256

OCc1cccc2c1oc1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.59
DRD4 P21917 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MAOA P21397 2/20 0.44
SLC11A2 P49281 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
AHR P35869 1/20 0.42
MAOB P27338 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
NQO1 P15559 1/20 0.40
KDM5A P29375 1/20 0.40
GGPS1 O95749 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL10999959 0.85 KDM4E (0.65) ALOX5KDM4EMAOAMAOBCYP19A1
SCHEMBL4164228 0.85 SLC11A2 (0.53) ALOX5DRD4KDM4ESLC11A2AHR
SCHEMBL17196260 0.82 ALOX5 (0.58) ALOX5DRD4KDM4EMAOASLC11A2
SCHEMBL7962346 0.82 ALOX5 (0.54) ALOX5DRD4KDM4EMAOASLC11A2
SCHEMBL787558 0.82 ALOX5 (0.54) ALOX5DRD4KDM4EMAOASLC11A2
SCHEMBL10109859 0.82 ALOX5 (0.58) ALOX5DRD4KDM4EMAOAMEN1
SCHEMBL11192241 0.80 ALOX5 (0.60) ALOX5DRD4KDM4EMAOAMEN1
SCHEMBL21436953 0.79 ALOX5 (0.51) ALOX5DRD4KDM4EMAOAMEN1
SCHEMBL20982326 0.79 ALOX5 (0.51) ALOX5DRD4KDM4EMEN1KMT2A
SCHEMBL8374054 0.79 ALOX5 (0.55) ALOX5DRD4KDM4ESLC11A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963028-B1 PIPERAZINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S A (LU) 2018-08-01 EP disclosed
US-9278957-B2 Piperazine, piperidine and tetrahydropyridine derivatives and their pharmaceutical use ATIR HOLDING S.A. (LU) 2016-03-08 US disclosed
EP-2963028-A1 PIPERAZINE DERIVATIVES AND THEIR PHARMACEUTICAL USE Atir Holding S.A. (LU) 2016-01-06 EP disclosed
EP-2435414-B1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S A (LU) 2015-08-19 EP disclosed
US-20150099784-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GROEN AERONAUTICS CORPORATION 2015-04-09 US disclosed
US-8912196-B2 Piperazine, piperidine and tetrahydropyridine derivatives and their pharmaceutical use ATIR HOLDING S.A. (LU) 2014-12-16 US disclosed
US-20120071487-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S.A. 2012-03-22 US disclosed
WO-2010137018-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S.A. (LU) 2010-12-02 WO disclosed
US-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
EP-1735300-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2006-12-27 EP disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 WO disclosed
US-4661432-A Light-sensitive, diazonium group-containing polycondensation product, process for its production, and light-sensitive recording material containing this polycondensation product HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-28 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 (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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A ALOX5 1535/4885DRD4 51/4885KDM4E 1472/4885
US-20150099784-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE DPYD, BRPF3, BRPF1 ALOX5 2150/4885DRD4 32/4885KDM4E 1187/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A ALOX5 1535/4885DRD4 51/4885KDM4E 1472/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A ALOX5 1535/4885DRD4 51/4885KDM4E 1472/4885
US-20120071487-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE DPYD, BRPF3, BRPF1 ALOX5 2150/4885DRD4 32/4885KDM4E 1187/4885

“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.