SCHEMBL936487

SCHEMBL936487

FC(F)(F)c1ccc(Cl)cc1CCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
HTT P42858 2/20 0.40
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PIEZO1 Q92508 1/20 0.39
P2RX1 P51575 1/20 0.38
MEN1 O00255 1/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
HSPD1 P10809 1/20 0.38
HSPA5 P11021 1/20 0.38
IDO1 P14902 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7804289 0.83 POLQ (0.47) NOS3NOS1NOS2HTTCYP3A4
SCHEMBL951751 0.82 NOS3 (0.47) NOS3NOS1NOS2HTTCYP3A4
SCHEMBL1125472 0.82 NOS3 (0.47) NOS3NOS1NOS2HTTCYP3A4
SCHEMBL18908921 0.82 NOS3 (0.47) NOS3NOS1NOS2HTTCYP3A4
SCHEMBL10283739 0.82 NOS3 (0.50) NOS3NOS1NOS2HTTCYP3A4
SCHEMBL147107 0.82 NOS3 (0.47) NOS3NOS1NOS2HTTCYP3A4
SCHEMBL1196343 0.82 NOS3 (0.47) NOS3NOS1NOS2HTTCYP3A4
Hydrochloric Acid SCHEMBL4496671 0.80 NOS3 (0.46) NOS3NOS1NOS2HTTCYP3A4
SCHEMBL3188993 0.79 CES2 (0.46) CYP3A4PIEZO1IDO1POLQCYP2D6
SCHEMBL938117 0.79 IDO1 (0.46) IDO1P2RX7SLC6A4

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
EP-3042895-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2016-07-13 EP disclosed
EP-2316827-B1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2016-01-27 EP disclosed
CN-102600162-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2012-07-25 CN disclosed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP disclosed
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 US disclosed
EP-2316827-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
CN-101980709-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2011-02-23 CN disclosed
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS XENON PHARMACEUTICALS INC. (CA) 2011-01-27 US disclosed
US-20100311763-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NOVARTIS PHARMA AG (US) 2010-12-09 US disclosed
EP-2257291-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS Xenon Pharmaceuticals Inc. (CA) 2010-12-08 EP disclosed
US-20080280916-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-11-13 US disclosed
CN-101160289-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2008-04-09 CN disclosed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US disclosed
EP-1851205-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-11-07 EP disclosed
CN-1829698-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2006-09-06 CN disclosed
WO-2006086447-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO disclosed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP disclosed
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-01-12 US disclosed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US disclosed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 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 (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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 NOS3 2048/4885NOS1 2627/4885NOS2 2379/4885
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS PRXL2A, CUTA, MC1R NOS3 1827/4885NOS1 1941/4885NOS2 1887/4885
US-20080280916-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MC1R, CASP9, PRDX5 NOS3 2708/4885NOS1 2964/4885NOS2 2895/4885
US-20100311763-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MC1R, CASP9, PRDX5 NOS3 2708/4885NOS1 2964/4885NOS2 2895/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 NOS3 2028/4885NOS1 2632/4885NOS2 2263/4885

“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.