SCHEMBL1044178

SCHEMBL1044178

Cc1ncoc1C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
LMNA P02545 6/20 0.55
HSD17B10 Q99714 4/20 0.55
TSHR P16473 2/20 0.55
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPK1 P28482 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GLA P06280 1/20 0.48
POLB P06746 1/20 0.44
PKM P14618 1/20 0.43
KMT2A Q03164 4/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 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
SCHEMBL8981600 0.85 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10TSHRNPC1
SCHEMBL8616571 0.82 KMT2A (0.50) ALDH1A1LMNAHSD17B10TSHRNPC1
Hydrochloric Acid SCHEMBL19119174 0.75 MAPT (0.47) ALDH1A1LMNAHSD17B10TSHRNPC1
SCHEMBL12230949 0.72
SCHEMBL9686058 0.69 ALDH1A1 (0.46) ALDH1A1LMNATSHRNPC1RAB9A
SCHEMBL17725133 0.69
Benzophenone SCHEMBL28192810 0.68 ALDH1A1 (0.93) ALDH1A1LMNAHSD17B10TSHRNPC1
SCHEMBL25139561 0.68 MAPT (0.45) ALDH1A1LMNAHSD17B10TSHRNPC1
SCHEMBL14351455 0.68 LMNA (0.50) ALDH1A1LMNAHSD17B10TSHRNPC1
SCHEMBL22952846 0.68 KMT2A (0.45) ALDH1A1LMNAHSD17B10TSHRNPC1

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
US-8981111-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-02-10 US disclosed
EP-2271641-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience AG (DE) 2011-01-12 EP disclosed
WO-2009130193-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE SA (FR) 2009-10-29 WO disclosed
US-5747515-A Heterocyclic compounds and compositions having nevropharmacological potential ASTRA AKTIEBOLAG (SE) 1998-05-05 US disclosed
WO-1995001967-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 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-20110034445-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, CYP51A1 ALDH1A1 2550/4885LMNA 2820/4885HSD17B10 138/4885

“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.