SCHEMBL921902

SCHEMBL921902

Nc1cc(CBr)cc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
CYP3A4 P08684 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
CYP19A1 P11511 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.38
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL2682001 0.86 CYP19A1 (0.54) ALDH1A1HTTPOLBCYP3A4MEN1
SCHEMBL629543 0.86 CYP19A1 (0.48) ALDH1A1HTTPOLBCYP3A4MEN1
SCHEMBL6739273 0.82 MAPT (0.47) MAPTALDH1A1HTTPOLBNPC1
SCHEMBL6742072 0.81 MAPT (0.46) MAPTALDH1A1HTTPOLBNPC1
SCHEMBL922768 0.81 NPC1 (0.47) MAPTALDH1A1HTTPOLBNPC1
SCHEMBL7786787 0.81 HTT (0.58) MAPTALDH1A1HTTPOLBNPC1
SCHEMBL5722520 0.79 TSHR (0.67) MAPTALDH1A1HTTPOLBNPC1
SCHEMBL539064 0.79 ALDH1A1 (0.60) MAPTALDH1A1HTTPOLBNPC1
SCHEMBL65293 0.79 CYP19A1 (0.62) MAPTALDH1A1HTTPOLBNPC1
SCHEMBL602087 0.78 ACP1 (0.42) ALDH1A1HTTPOLBCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 4573/4885ALDH1A1 1614/4885HTT 1145/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 MAPT 4573/4885ALDH1A1 1614/4885HTT 1145/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC MAPT 4000/4885ALDH1A1 3393/4885HTT 1642/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C MAPT 4486/4885ALDH1A1 2487/4885HTT 2491/4885

“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.