SCHEMBL8510090

SCHEMBL8510090

C=C(C)c1nnc(C)c(-c2ccc(F)cc2F)c1-c1cc(OC)cc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PTGS2 P35354 1/20 0.36
ADORA2A P29274 1/20 0.33
AMY1A P0DUB6 1/20 0.33
MAPT P10636 3/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 2/20 0.32
F2RL3 Q96RI0 1/20 0.32
ALPL P05186 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1162608 0.82 CYP1A1 (0.36) MAPTTP53MEN1ALDH1A1LMNA
SCHEMBL1162860 0.79 ALDH1A1 (0.39) PTGS2MAPTTHRBMEN1ALDH1A1
SCHEMBL1937701 0.77 TP53 (0.36) ADORA2AMAPTTP53
SCHEMBL1938999 0.74 MEN1 (0.38) PTGS2ADORA2AAMY1AMAPTTP53
SCHEMBL8513893 0.74 CTSA (0.35) AKR1C3AKR1C2PTGS2MAPTTHRB
SCHEMBL1162286 0.70 CYP1B1 (0.37) TP53ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1162395 0.67 CYP1A2 (0.41) MEN1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1559570 0.67 TP53 (0.47) MAPTTP53MEN1ALDH1A1LMNA
SCHEMBL1162843 0.67 PDE2A (0.38) AKR1C3AKR1C2PTGS2MEN1ALDH1A1
SCHEMBL1162305 0.66 CYP1A2 (0.34) MEN1ALDH1A1CYP1A2CYP3A4CYP2C9

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-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-05-31 US 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

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 AKR1C3 103/4885AKR1C2 735/4885PTGS2 1491/4885

“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.