SCHEMBL2484958

SCHEMBL2484958

Cc1snnc1C(=O)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
ALOX15 P16050 1/20 0.49
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
PARP1 P09874 1/20 0.44
IGFBP3 P17936 1/20 0.43
POLB P06746 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 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
SCHEMBL15372797 0.82 USP36 (0.49) KMT2AALDH1A1PARP1POLBNPC1
SCHEMBL1258944 0.73 CES2 (0.74) KMT2AMEN1CES2CES1PARP1
SCHEMBL257361 0.73 CES2 (0.49) KMT2AMEN1TSHRALDH1A1GAA
SCHEMBL7464632 0.72 RAB9A (0.46) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL2705684 0.71 CES2 (0.71) KMT2AMEN1CES2CES1PARP1
Hydrochloric Acid SCHEMBL27733562 0.71 CES2 (0.71) KMT2AMEN1CES2CES1PARP1
SCHEMBL806857 0.71 KCNK3 (0.64) KMT2AMEN1TSHRALDH1A1CES2
SCHEMBL10758410 0.68 CES2 (0.55) KMT2AMEN1TSHRALDH1A1GAA
Bicarbonate SCHEMBL1401812 0.68 CES2 (0.65) KMT2AMEN1ALDH1A1CES2CES1
SCHEMBL29623677 0.68 ATM (0.71) KMT2AMEN1ALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580799-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2013-11-12 US disclosed
US-20110294829-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
EP-2376464-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2011-10-19 EP disclosed
WO-2010066697-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-06-17 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-20110294829-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, HAO1 KMT2A 437/4885MEN1 402/4885TSHR 2865/4885

“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.