SCHEMBL937237

SCHEMBL937237

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
HIF1A Q16665 2/20 0.52
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
THRB P10828 1/20 0.50
ABCB1 P08183 1/20 0.48
SNCA P37840 2/20 0.48
TAAR1 Q96RJ0 1/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL937744 0.87 HIF1A (0.63) CNR1HIF1ALMNATHRBTAAR1
SCHEMBL939404 0.84 NPC1 (0.50) CNR1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL28636200 0.81 CNR1 (0.52) CNR1HIF1ALMNAPOLBTHRB
SCHEMBL31683854 0.81 CNR1 (0.52) CNR1HIF1ALMNAPOLBTHRB
SCHEMBL937139 0.80 HIF1A (0.48) CNR1HIF1ASNCANPC1RAB9A
SCHEMBL937910 0.79 NPC1 (0.58) CNR1LMNAPOLBNPC1RAB9A
SCHEMBL28614480 0.78 HIF1A (0.79) HIF1ALMNAPOLBTHRBSNCA
SCHEMBL937246 0.77 HIF1A (0.62) CNR1HIF1ATAAR1NAMPTNPC1
SCHEMBL936282 0.77 HIF1A (0.66) CNR1HIF1ALMNANPC1RAB9A
SCHEMBL937958 0.76 NPC1 (0.57) HIF1APOLBNAMPTNPC1RAB9A

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 CNR1 1133/4885HIF1A 4128/4885LMNA 176/4885

“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.