SCHEMBL937744

SCHEMBL937744

O=C(NCCc1cccc(Cl)c1)c1ccc(Cl)nn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.56
ALDH1A1 P00352 4/20 0.54
HPGD P15428 1/20 0.54
THRB P10828 1/20 0.53
MAPT P10636 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
CNR1 P21554 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PLAAT3 P53816 2/20 0.51
PLAAT5 Q96KN8 2/20 0.51
PLAAT2 Q9NWW9 2/20 0.51
PLAAT4 Q9UL19 2/20 0.51
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL937237 0.87 CNR1 (0.53) HIF1ASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL937910 0.83 NPC1 (0.58) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL28631718 0.81 SMN1; SMN2 (0.58) HIF1ASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL13210596 0.81 HIF1A (0.72) HIF1ASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL31683858 0.81 SMN1; SMN2 (0.58) HIF1ASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL936282 0.79 HIF1A (0.66) HIF1ASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL937958 0.78 NPC1 (0.57) HIF1ASMN1; SMN2NPC1RAB9AGAA
SCHEMBL939404 0.78 NPC1 (0.50) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL28601917 0.78 HIF1A (1.00) HIF1ASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL5216536 0.77 KMT2A (0.65) HIF1ASMN1; SMN2NPC1RAB9AKMT2A

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 4128/4885SMN1; SMN2 746/4885NPC1 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.