SCHEMBL4683697

SCHEMBL4683697

COc1ccc(C(=O)c2nnnn2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
LMNA P02545 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 2/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
ALOX15 P16050 1/20 0.45
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
ERCC5 P28715 1/20 0.44

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
SCHEMBL22163779 0.84 SRD5A2 (0.51) ALDH1A1HPGDMEN1MAPK1KMT2A
SCHEMBL10612486 0.82 MAPT (0.50) ALDH1A1NPSR1RAB9AMAPTKMT2A
SCHEMBL4683800 0.82 ALDH1A1 (0.50) ALDH1A1LMNARAB9APOLBCES2
SCHEMBL10425548 0.81 ALDH1A1 (0.43) ALDH1A1NPSR1RAB9AMAPTPOLB
SCHEMBL4686699 0.81 HTT (0.51) LMNAHPGDNPSR1RAB9AMEN1
Hydrochloric Acid SCHEMBL8217951 0.81 GAA (0.52) ALDH1A1LMNAHPGDNPSR1RAB9A
SCHEMBL242834 0.80 HIF1A (0.45) ALDH1A1NPSR1RAB9AMEN1MAPT
SCHEMBL4685242 0.79 ALDH1A1 (0.45) ALDH1A1RAB9APOLBCES2CES1
SCHEMBL9726963 0.79 TCF4 (0.46) ALDH1A1LMNAHPGDNPSR1RAB9A
SCHEMBL10385011 0.76 NQO2 (0.43) ALDH1A1HPGDRAB9AMAPTPOLB

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-1426371-B1 TETRAZOYL OXIME DERIVATIVES AND AGROCHEMICALS CONTAINING THE SAME AS THE ACTIVE INGREDIENT NIPPON SODA CO (JP) 2008-12-03 EP disclosed
US-20070105926-A1 Tetrazoyloxime derivative and agricultural chemical containing the same as active ingredient NIPPON SODA CO., LTD (JP) 2007-05-10 US disclosed
US-7183299-B2 Tetrazoyl oxime derivative and agricultural chemical containing the same as active ingredient NIPPON SODA CO., LTD. (JP) 2007-02-27 US disclosed
US-20050070439-A1 Tetrazoyl oxime derivative and agricultural chemical containing the same as active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-03-31 US disclosed
EP-1426371-A1 TETRAZOYL OXIME DERIVATIVE AND AGRICULTURAL CHEMICAL CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-06-09 EP 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 (2 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-20070105926-A1 Tetrazoyloxime derivative and agricultural chemical containing the same as active ingredient PAOX, TH, CYP2E1 ALDH1A1 2307/4885LMNA 2880/4885HPGD 637/4885
US-20050070439-A1 Tetrazoyl oxime derivative and agricultural chemical containing the same as active ingredient TH, CYP2E1, PAOX ALDH1A1 1724/4885LMNA 3005/4885HPGD 665/4885

“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.