SCHEMBL1938744

SCHEMBL1938744

COc1cc(OC)cc(-c2c(-c3ccccc3F)nnc(C)c2-c2ccc(F)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.41
ABL1 P00519 2/20 0.40
ABCB1 P08183 2/20 0.40
BCR P11274 2/20 0.40
DCTPP1 Q9H773 1/20 0.40
MAPT P10636 5/20 0.38
TP53 P04637 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
TSHR P16473 1/20 0.38
TEK Q02763 1/20 0.38
PDE2A O00408 2/20 0.37
PDE10A Q9Y233 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
CYP1A1 P04798 1/20 0.36

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
SCHEMBL1938200 0.94 ABL1 (0.48) MAOBABL1ABCB1BCRDCTPP1
SCHEMBL1937701 0.88 TP53 (0.36) MAOBABL1ABCB1BCRDCTPP1
SCHEMBL1937723 0.88 ABL1 (0.38) MAOBABL1ABCB1BCRDCTPP1
SCHEMBL1937991 0.88 ABL1 (0.39) MAOBABL1ABCB1BCRDCTPP1
SCHEMBL1938270 0.86 ADORA2A (0.47) MAOBMAPTTP53NPC1RAB9A
SCHEMBL1938999 0.86 MEN1 (0.38) ABL1ABCB1BCRMAPTTP53
SCHEMBL1558934 0.82 NPC1 (0.41) ABL1ABCB1BCRDCTPP1MAPT
SCHEMBL1937496 0.79 ABL1 (0.38) MAOBABL1ABCB1BCRDCTPP1
SCHEMBL1937688 0.78 TP53 (0.41) ABL1ABCB1BCRMAPTTP53
SCHEMBL1938105 0.78 PTGS1 (0.36) ABL1ABCB1BCRMAPTTP53

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-2330891-A1 FUNGICIDAL PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2011-06-15 EP claimed
US-20110136762-A1 FUNGICIDAL PYRIDAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-09 US claimed
WO-2010036553-A1 FUNGICIDAL PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-01 WO claimed
EP-2330891-A1 FUNGICIDAL PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2011-06-15 EP disclosed
US-20110136762-A1 FUNGICIDAL PYRIDAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-06-09 US disclosed
WO-2010036553-A1 FUNGICIDAL PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-01 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-20110136762-A1 FUNGICIDAL PYRIDAZINES PRDX1, PNPO, PRXL2A MAOB 199/4885ABL1 599/4885ABCB1 541/4885

“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.