SCHEMBL939404

SCHEMBL939404

O=C(NCCc1ccc(F)cc1)c1ccc(Cl)nn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
CNR1 P21554 1/20 0.49
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MCHR1 Q99705 1/20 0.45

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 0.89 NPC1 (0.58) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL937237 0.84 CNR1 (0.53) NPC1RAB9ASMN1; SMN2CNR1KMT2A
SCHEMBL936282 0.84 HIF1A (0.66) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL960739 0.83 KMT2A (0.65) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL937139 0.82 HIF1A (0.48) NPC1RAB9ACNR1
SCHEMBL937508 0.80 MAPT (0.51) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8310344 0.79 JUN (0.48) SMN1; SMN2CNR1MAPTALDH1A1HPGD
SCHEMBL28635932 0.78 NPC1 (0.49) NPC1RAB9ASMN1; SMN2CNR1MAPT
SCHEMBL937246 0.78 HIF1A (0.62) NPC1RAB9ACNR1KMT2A
SCHEMBL937744 0.78 HIF1A (0.63) NPC1RAB9ASMN1; SMN2CNR1MAPT

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 NPC1 3537/4885RAB9A 121/4885SMN1; SMN2 746/4885

“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.