SCHEMBL3036932

SCHEMBL3036932

O=C(Nc1ccccc1)C(=Cc1ccccc1)c1cccs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
ALDH1A1 P00352 5/20 0.64
LMNA P02545 3/20 0.64
MAPK1 P28482 2/20 0.64
POLB P06746 2/20 0.64
KDM4E B2RXH2 1/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
NPC1 O15118 11/20 0.56
RAB9A P51151 11/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 2/20 0.51
TP53 P04637 1/20 0.50
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
CASP3 P42574 2/20 0.49
SENP7 Q9BQF6 2/20 0.49

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
SCHEMBL11667365 0.88 MAPT (0.49) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL5471581 0.82 AKR1C1 (0.58) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL3036930 0.80 NPC1 (0.51) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL2809794 0.80 NPC1 (0.51) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL2809793 0.80 NPC1 (0.51) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL11665349 0.78 MAPT (1.00) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL4959915 0.78 HPGDS (0.56) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL1929165 0.76 NPC1 (0.85) MAPTKMT2AMEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL31228835 0.75 NPC1 (0.82) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL2811520 0.74 NPC1 (0.46) MAPTKMT2AMEN1ALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318981-B2 Imidate compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-20100210683-A1 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-08-19 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-20100210683-A1 IMIDATE COMPOUND AND USE THEREOF FOR PEST CONTROL CYP1A1, CYC1, C1S MAPT 4511/4885KMT2A 1055/4885MEN1 1642/4885

“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.