SCHEMBL937246

SCHEMBL937246

O=C(NCCc1ccccc1F)c1ccc(Cl)nn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.62
CNR1 P21554 1/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TRPV1 Q8NER1 2/20 0.49
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
RIPK1 Q13546 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NAMPT P43490 1/20 0.43
TP53 P04637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL937139 0.85 HIF1A (0.48) HIF1ACNR1NPC1RAB9A
SCHEMBL28635599 0.80 NPC1 (0.53) HIF1ACNR1NPC1RAB9AMEN1
SCHEMBL31683861 0.80 NPC1 (0.53) HIF1ACNR1NPC1RAB9AMEN1
SCHEMBL939404 0.78 NPC1 (0.50) CNR1NPC1RAB9AKMT2A
SCHEMBL28601971 0.78 HIF1A (0.72) HIF1ACNR1NPC1RAB9AMEN1
SCHEMBL28344737 0.77 HIF1A (1.00) HIF1ACNR1NPC1RAB9AMEN1
SCHEMBL28598211 0.77 HIF1A (1.00) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL937237 0.77 CNR1 (0.53) HIF1ACNR1NPC1RAB9AMEN1
SCHEMBL8310344 0.77 JUN (0.48) CNR1KMT2AKDM4E
SCHEMBL936282 0.76 HIF1A (0.66) HIF1ACNR1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS PRXL2A, CUTA, MC1R HIF1A 4128/4885CNR1 1133/4885NPC1 3537/4885

“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.