SCHEMBL17434732

SCHEMBL17434732

O/N=C\c1ccc(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GRIN2D O15399 4/20 0.41
GRIN3B O60391 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN2C Q14957 4/20 0.41
GRIN3A Q8TCU5 4/20 0.41
HPGD P15428 3/20 0.40

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
SCHEMBL533849 1.00 MAPT (0.44) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL533848 1.00 MAPT (0.44) MAPTNPC1RAB9ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28407169 0.98 MAPT (0.43) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5774843 0.84 MAPT (0.43) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL5774846 0.84 MAPT (0.43) MAPTNPC1RAB9ACYP1A2CYP3A4
SCHEMBL1931859 0.79 GRIN2D (0.61) MAPTRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL29775672 0.79 GRIN2D (0.61) MAPTRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL2928249 0.79 GRIN2D (0.61) MAPTRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL1931856 0.79 GRIN2D (0.61) MAPTRAB9AL3MBTL1ALDH1A1LMNA
SCHEMBL4049047 0.79 MAPT (0.59) MAPTCYP1A2CYP2C19L3MBTL1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 MAPT 4308/4885NPC1 4857/4885RAB9A 3766/4885

“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.