SCHEMBL1162344

SCHEMBL1162344

COc1cc(OC)cc(-c2c(Cl)nnc(C)c2-c2c(F)cccc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP4B1 P13584 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP3A5 P20815 1/20 0.40
CYP2A7 P20853 1/20 0.40
CYP3A7 P24462 1/20 0.40
CYP2F1 P24903 1/20 0.40
CYP2C18 P33260 1/20 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
SCHEMBL1162526 0.96 ALDH1A1 (0.41) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL1162305 0.87 CYP1A2 (0.34) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL1162374 0.86 CYP1A2 (0.37) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL1162386 0.85 PDE2A (0.35) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL1162447 0.84 CYP1B1 (0.41) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL1162406 0.83 CYP1A2 (0.33) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL1937688 0.82 TP53 (0.41) ALDH1A1NPC1RAB9ACYP1B1ABL1
SCHEMBL1162306 0.82 ALDH1A1 (0.41) ALDH1A1L3MBTL1NPC1HTTRAB9A
SCHEMBL1937534 0.81 ADORA2A (0.43) ALDH1A1L3MBTL1NPC1RAB9ACYP1A1
SCHEMBL1162608 0.81 CYP1A1 (0.36) ALDH1A1L3MBTL1NPC1HTTRAB9A

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
EP-2462120-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2012-06-13 EP disclosed
US-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-05-31 US disclosed
WO-2011017261-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 WO 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-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES PNPO, CYP1B1, PRXL2A ALDH1A1 744/4885L3MBTL1 780/4885NPC1 1587/4885

“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.