SCHEMBL921989

SCHEMBL921989

NC1=NN=C(N)C1=NNc1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.51
MEN1 O00255 9/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 5/20 0.50
ALOX12 P18054 2/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 9/20 0.49
POLB P06746 5/20 0.48
HTT P42858 2/20 0.48
DDX3X O00571 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
ROCK1 Q13464 1/20 0.47
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 3/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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 0.91 ALDH1A1 (0.48) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL923809 0.91 ALDH1A1 (0.48) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL922297 0.83 ALDH1A1 (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL922593 0.82 ABCG2 (0.43) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL922591 0.82 ABCG2 (0.43) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL17126914 0.79 KMT2A (0.50) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL924330 0.76 ALDH1A1 (0.33) ALDH1A1ALOX12HPGDMAPTPOLB
SCHEMBL922084 0.75 KMT2A (0.43) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL924420 0.75 MAPT (0.46) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL924419 0.75 MAPT (0.46) KMT2AMEN1RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105503-B2 Pyrazole compounds QLT INC. (CA) 2006-09-12 US claimed
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-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 US 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-7105503-B2 Pyrazole compounds QLT INC. (CA) 2006-09-12 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
US-20030060453-A1 Pyrazole compounds DERMIRA (CANADA), INC. 2003-03-27 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 (4 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 KMT2A 2931/4885MEN1 3936/4885RAB9A 4545/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 KMT2A 2931/4885MEN1 3936/4885RAB9A 4545/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC KMT2A 4148/4885MEN1 1844/4885RAB9A 3555/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C KMT2A 3543/4885MEN1 3439/4885RAB9A 4226/4885

“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.