SCHEMBL91308

SCHEMBL91308

CCOC(=O)c1cc(N)cc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 1.00
MAPT P10636 8/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
RAB9A P51151 1/20 0.45
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 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
SCHEMBL1114367 0.89 NPC1 (0.79) NPC1MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL8076355 0.89 NPC1 (0.79) NPC1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL11170918 0.85 NPC1 (0.74) NPC1MAPTCYP3A4SMN1; SMN2POLB
SCHEMBL13144461 0.84 NPC1 (0.73) NPC1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL584234 0.83 NPC1 (0.71) NPC1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL5095881 0.83 NPC1 (0.71) NPC1MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL7683393 0.83 NPC1 (0.71) NPC1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL1997115 0.83 NPC1 (0.70) NPC1MAPTLMNACYP3A4ALDH1A1
SCHEMBL584503 0.82 NPC1 (0.69) NPC1MAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL3266105 0.82 NPC1 (0.69) NPC1MAPTLMNAALDH1A1SMN1; SMN2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
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-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 US disclosed
US-8129425-B2 Contacting cell with hedgehog antagonist; moderator of cell proliferative, cell differentiation CURIS, INC. (US) 2012-03-06 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-7786125-B2 Neuroprotective small organic molecules, compositions and uses of related thereto LIN LEU-FEN H 2010-08-31 US disclosed
US-7671077-B2 Neuroprotective small organic molecules, compositions and uses related thereto LIN LEU-FEN HOU 2010-03-02 US disclosed
EP-1482928-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS,COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2009-09-23 EP disclosed
EP-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed
US-20050070578-A1 Small organic molecule regulators of cell proliferation CURIS, INC. 2005-03-31 US disclosed
EP-1450791-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS Kinetek Pharmaceuticals, Inc. (CA) 2004-09-01 EP disclosed
EP-1013636-B1 Preparation of allylic aromatic compounds AMERSHAM HEALTH AS (NO) 2003-07-09 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
US-6284894-B1 AROMATIC AMINE IS REACTED FIRST WITH A NITRITE AND THEN WITH AN ALLYLIC OLEFIN HAVING AN ELIMINATABLE TERMINAL SUBSTITUENT. NYCOMED IMAGING AS (NO) 2001-09-04 US disclosed
EP-1013636-A1 Preparation of allylic aromatic compounds NYCOMED IMAGING AS (NO) 2000-06-28 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 (5 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 NPC1 2611/4885MAPT 4573/4885LMNA 2013/4885
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 NPC1 2611/4885MAPT 4573/4885LMNA 2013/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC NPC1 3205/4885MAPT 4000/4885LMNA 561/4885
US-20030060453-A1 Pyrazole compounds CCNC, MKI67, CDC25C NPC1 2227/4885MAPT 4486/4885LMNA 1653/4885
US-20050070578-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO NPC1 3715/4885MAPT 4567/4885LMNA 4848/4885

“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.