SCHEMBL937508

SCHEMBL937508

O=C(NCCOc1ccc(F)cc1)c1ccc(Cl)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 5/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PRKAA2 P54646 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL936691 0.90 MAPT (0.62) MAPTL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL939404 0.80 NPC1 (0.50) MAPTRAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL8308548 0.79 HPGD (0.54) RAB9AALDH1A1LMNAMAPK1HPGD
SCHEMBL937139 0.76 HIF1A (0.48) RAB9ANPC1
SCHEMBL938665 0.76 SCN9A (0.44) MAPTL3MBTL1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8310344 0.76 JUN (0.48) MAPTALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL31483051 0.74 SMN1; SMN2 (0.53) MAPTL3MBTL1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8310937 0.73 NPC1 (0.47) MAPTL3MBTL1RAB9AALDH1A1SMN1; SMN2
SCHEMBL937246 0.73 HIF1A (0.62) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3446997 0.73 SMN1; SMN2 (0.55) MAPTL3MBTL1RAB9AALDH1A1SMN1; SMN2

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 MAPT 3647/4885L3MBTL1 1305/4885RAB9A 121/4885

“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.