SCHEMBL923809

SCHEMBL923809

CC1=NN=C(N)C1=NNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
ALOX12 P18054 2/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 8/20 0.47
KMT2A Q03164 10/20 0.46
MEN1 O00255 8/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
GAA P10253 3/20 0.44
POLB P06746 4/20 0.43
HTT P42858 2/20 0.43
ROCK1 Q13464 1/20 0.43
DDX3X O00571 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GLA P06280 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL923808 1.00 ALDH1A1 (0.48) ALDH1A1ALOX12HPGDMAPTKMT2A
SCHEMBL921989 0.91 KMT2A (0.51) ALDH1A1ALOX12HPGDMAPTKMT2A
SCHEMBL922296 0.78 ALDH1A1 (0.41) ALDH1A1ALOX12HPGDMAPTKMT2A
SCHEMBL922297 0.78 ALDH1A1 (0.41) ALDH1A1ALOX12HPGDMAPTKMT2A
SCHEMBL922215 0.78 MAPT (0.43) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL6637470 0.78 DEPTOR (0.54) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL922216 0.78 MAPT (0.43) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL922591 0.77 ABCG2 (0.43) ALDH1A1ALOX12HPGDMAPTKMT2A
SCHEMBL922593 0.77 ABCG2 (0.43) ALDH1A1ALOX12HPGDMAPTKMT2A
SCHEMBL923300 0.76 DEPTOR (0.46) ALDH1A1ALOX12HPGDMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US claimed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP claimed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 WO claimed
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS DERMIRA (CANADA), INC. (US) 2014-04-17 US disclosed
US-8445694-B2 Hydrazonopyrazole derivatives and their use as therapeutics DERMIRA (CANADA), INC. (US) 2013-05-21 US disclosed
US-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Valocor Therapeutics, Inc. (CA) 2011-09-29 US disclosed
US-7875728-B2 tert-butyl-[5-methyl-4-(phenylhydrazono)-4H-pyrazol-3-yl]amine; 4-(3-fluorophenylhydrazono)-5-methyl-2H-pyrazol-3-ylamine; demonstrate anti-proliferative activity, and may promote apoptosis in cells lacking normal regulation of cell cycle and death Valocor Therapeutics, Inc. (CA) 2011-01-25 US disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP disclosed
WO-2003045379-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS KINETEK PHARMACEUTICALS, INC. (CA) 2003-06-05 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 (3 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-20110237783-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 ALDH1A1 1614/4885ALOX12 2015/4885HPGD 179/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 ALDH1A1 1614/4885ALOX12 2015/4885HPGD 179/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC ALDH1A1 3393/4885ALOX12 2369/4885HPGD 1273/4885

“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.