SCHEMBL936282

SCHEMBL936282

O=C(NCCc1ccc(-c2ccccc2)cc1)c1ccc(Cl)nn1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.66
FAAH O00519 1/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CNR1 P21554 1/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SCN2A Q99250 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL937910 0.86 NPC1 (0.58) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL937958 0.84 NPC1 (0.57) HIF1AFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL939404 0.84 NPC1 (0.50) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL28601911 0.81 HIF1A (0.85) HIF1AFAAHNPC1RAB9ACNR1
SCHEMBL960739 0.81 KMT2A (0.65) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL28344799 0.80 HIF1A (1.00) HIF1AFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL937744 0.79 HIF1A (0.63) HIF1ANPC1RAB9ASMN1; SMN2CNR1
SCHEMBL28608835 0.78 HIF1A (0.85) HIF1AFAAHNPC1RAB9A
SCHEMBL937237 0.77 CNR1 (0.53) HIF1ANPC1RAB9ASMN1; SMN2CNR1
SCHEMBL28601903 0.77 HIF1A (0.83) HIF1AFAAHNPC1RAB9A

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 4128/4885FAAH 4503/4885NPC1 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.