SCHEMBL1557533

SCHEMBL1557533

COCc1cccc(C(=O)c2nnnn2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MRGPRX4 Q96LA9 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 3/20 0.39
PKM P14618 2/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CD74 P04233 1/20 0.38
MIF P14174 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
CYP19A1 P11511 1/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 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
SCHEMBL2313967 0.82 MEN1 (0.36) MEN1KMT2AALDH1A1MRGPRX4SMN1; SMN2
SCHEMBL1557236 0.82 MEN1 (0.36) MEN1KMT2AALDH1A1MRGPRX4SMN1; SMN2
SCHEMBL20795336 0.79 MRGPRX4 (0.51) ALDH1A1MRGPRX4SMN1; SMN2RAB9ATP53
SCHEMBL4686934 0.78 POLB (0.45) KMT2ASMN1; SMN2RAB9ARXFP1NPC1
SCHEMBL242834 0.76 HIF1A (0.45) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL1556907 0.75 KMT2A (0.41) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL22681476 0.74 ATM (0.57) ALDH1A1MRGPRX4SMN1; SMN2RAB9ATP53
SCHEMBL1556921 0.73 TAS1R3 (0.41)
SCHEMBL1557238 0.73 CYP1A2 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL565902 0.71 MRGPRX4 (0.67) MRGPRX4SMN1; SMN2RAB9ATP53PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303865-B1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER IP GMBH (DE) 2014-06-11 EP disclosed
US-8492388-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-07-23 US disclosed
US-20110190353-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-08-04 US disclosed
EP-2303865-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2011-04-06 EP disclosed
WO-2010000842-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-01-07 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-20110190353-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HPD, HAAO, CYP8B1 MEN1 2125/4885KMT2A 1517/4885ALDH1A1 2708/4885

“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.