Sugi Predict

Sugi Predict / Compounds / SCHEMBL1162386

SCHEMBL1162386

SCHEMBL1162386

COc1cc(OC)cc(-c2c(C)nnc(Cl)c2-c2c(F)ccc(F)c2F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGS2 P35354 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ CYP1B1 Q16678 4/20 0.33
▸ CYP1A1 P04798 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2E1 P05181 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C8 P10632 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2A6 P11509 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33

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
SCHEMBL1162843 0.90 PDE2A (0.38) PDE2APDE10AMEN1KMT2APTGS2
SCHEMBL1162526 0.89 ALDH1A1 (0.41) PDE2APDE10AMEN1KMT2ANPC1
SCHEMBL1162374 0.87 CYP1A2 (0.37) PDE2APDE10AMEN1KMT2ANPC1
SCHEMBL1162344 0.85 ALDH1A1 (0.41) PDE2APDE10AMEN1KMT2ANPC1
SCHEMBL1162406 0.85 CYP1A2 (0.33) PDE2APDE10AMEN1KMT2ANPC1
SCHEMBL1937688 0.83 TP53 (0.41) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL1937880 0.81 ABL1 (0.44) MEN1KMT2APTGS2NPC1RAB9A
SCHEMBL2354029 0.81 MEN1 (0.43) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL1162305 0.81 CYP1A2 (0.34) PDE2APDE10AMEN1KMT2ANPC1
SCHEMBL1937534 0.80 ADORA2A (0.43) MEN1KMT2ANPC1ALDH1A1RAB9A

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 6 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 claimed
US-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-05-31 — — US claimed
WO-2011017261-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 — — WO claimed
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 PDE2A 465/4885PDE10A 2558/4885MEN1 2369/4885

“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.