SCHEMBL1938233

SCHEMBL1938233

COc1cc(OC)cc(-c2c(-c3cc(F)c(F)cc3F)cnnc2-c2ccccc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ABL1 P00519 2/20 0.38
ABCB1 P08183 2/20 0.38
BCR P11274 2/20 0.38
ADORA2A P29274 6/20 0.36
ADORA1 P30542 5/20 0.36
ADORA2B P29275 4/20 0.36
TEK Q02763 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TSHR P16473 1/20 0.35
DHODH Q02127 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL1937991 0.73 ABL1 (0.39) NPC1RAB9AABL1ABCB1BCR
SCHEMBL1938200 0.72 ABL1 (0.48) NPC1RAB9AABL1ABCB1BCR
SCHEMBL1937701 0.72 TP53 (0.36) NPC1RAB9AABL1ABCB1BCR
SCHEMBL1937723 0.71 ABL1 (0.38) NPC1RAB9AABL1ABCB1BCR
SCHEMBL1938744 0.71 MAOB (0.41) NPC1RAB9AABL1ABCB1BCR
SCHEMBL1937496 0.71 ABL1 (0.38) NPC1RAB9AABL1ABCB1BCR
SCHEMBL1938105 0.71 PTGS1 (0.36) NPC1RAB9AABL1ABCB1BCR
SCHEMBL1937699 0.71 ABL1 (0.37) NPC1RAB9AABL1ABCB1BCR
SCHEMBL1936286 0.69 ALDH1A1 (0.34) NPC1RAB9AABL1ABCB1BCR
SCHEMBL1558934 0.68 NPC1 (0.41) NPC1RAB9AABL1ABCB1BCR

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-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 NPC1 1393/4885RAB9A 1912/4885ABL1 599/4885

“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.