SCHEMBL922541

SCHEMBL922541

O=[N+]([O-])c1ccc(F)cc1CN1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MCL1 Q07820 1/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
KCNJ1 P48048 1/20 0.49
CYP2A13 Q16696 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL1980423 0.83 MEN1 (0.75) CTSBMEN1KMT2ASMN1; SMN2POLB
SCHEMBL25026904 0.83 RAB9A (0.57) CTSBMEN1KMT2ASMN1; SMN2POLB
SCHEMBL9008678 0.80 ACHE (0.65) CTSBMEN1KMT2ASMN1; SMN2POLB
SCHEMBL20247304 0.78 CTSB (0.48) CTSBMEN1KMT2ASMN1; SMN2POLB
SCHEMBL29710198 0.78 ALDH1A1 (0.59) CTSBMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6609562 0.78 ALDH1A1 (0.59) CTSBMEN1KMT2ASMN1; SMN2POLB
SCHEMBL249415 0.78 CYP2A13 (0.54) CTSBMEN1KMT2ASMN1; SMN2POLB
SCHEMBL15888596 0.76 MAPK1 (0.52) CTSBALDH1A1MAPTLMNANPSR1
SCHEMBL10714307 0.76 CYP2A13 (0.49) CTSBMEN1KMT2ASMN1; SMN2POLB
SCHEMBL8564086 0.76 MAPT (0.61) MEN1KMT2APOLBALDH1A1MAPT

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-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
CN-1671379-A Hydrazinopyrazole derivatives and their use as therapeutic agents QUADRA LOGIC TECH INC (CA) 2005-09-21 CN 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 CTSB 2352/4885MEN1 3936/4885KMT2A 2931/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 CTSB 2352/4885MEN1 3936/4885KMT2A 2931/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC CTSB 1742/4885MEN1 1844/4885KMT2A 4148/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C CTSB 2453/4885MEN1 3439/4885KMT2A 3543/4885

“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.