SCHEMBL922796

SCHEMBL922796

O=[N+]([O-])c1cccc2cnncc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
TDP1 Q9NUW8 4/20 0.59
NOS1 P29475 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TSHR P16473 3/20 0.51
NOS2 P35228 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
APEX1 P27695 1/20 0.51
NOS3 P29474 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL29674805 0.79 ALDH1A1 (0.61) ALDH1A1TDP1NOS1SMN1; SMN2TSHR
SCHEMBL1010663 0.79 ALDH1A1 (0.61) ALDH1A1TDP1NOS1SMN1; SMN2TSHR
Methane SCHEMBL27506999 0.78 ALDH1A1 (0.59) ALDH1A1TDP1NOS1SMN1; SMN2TSHR
SCHEMBL27415737 0.78 ALDH1A1 (0.59) ALDH1A1TDP1NOS1SMN1; SMN2TSHR
Bromide SCHEMBL11820178 0.78 ALDH1A1 (0.59) ALDH1A1TDP1NOS1SMN1; SMN2TSHR
SCHEMBL3292426 0.77 ALDH1A1 (0.63) ALDH1A1TDP1NOS1SMN1; SMN2TSHR
SCHEMBL57184 0.77 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4
SCHEMBL9735773 0.77 ALDH1A1 (0.69) ALDH1A1TDP1NOS1SMN1; SMN2TSHR
SCHEMBL29378762 0.77 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4
SCHEMBL27780773 0.77 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148437-A1 Novel Ezrin Inhibitors and Methods of Making and Using UNITED STATES GOVERNMENT 2018-05-31 US disclosed
US-9522908-B2 Ezrin inhibitors and methods of making and using Gerogetown University (US) 2016-12-20 US disclosed
US-9522908-B2 Ezrin inhibitors and methods of making and using Gerogetown University (US) 2016-12-20 US disclosed
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2014-05-15 US disclosed
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2014-05-15 US disclosed
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS DERMIRA (CANADA), INC. (US) 2014-04-17 US disclosed
US-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS DERMIRA (CANADA), INC. (US) 2014-04-17 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-8445694-B2 Hydrazonopyrazole derivatives and their use as therapeutics DERMIRA (CANADA), INC. (US) 2013-05-21 US disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed
US-7229753-B2 Photothermographic material and method for forming images FUJIFILM CORPORATION (JP) 2007-06-12 US disclosed
US-20070003882-A9 Photothermographic material, and image forming method using same FUKUI KOUTA 2007-01-04 US disclosed
US-20070003882-A9 Photothermographic material, and image forming method using same FUKUI KOUTA 2007-01-04 US disclosed
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 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

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-20140107125-A1 HYDRAZONOPYRAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTICS CDK4, CCNI, BCL2 ALDH1A1 1614/4885TDP1 646/4885NOS1 987/4885
US-20180148437-A1 Novel Ezrin Inhibitors and Methods of Making and Using EZR, CDC42, ERMP1 ALDH1A1 4430/4885TDP1 3654/4885NOS1 3626/4885
US-20140135325-A1 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING EZR, NHERF1, ERMP1 ALDH1A1 4434/4885TDP1 3636/4885NOS1 3426/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC ALDH1A1 3393/4885TDP1 286/4885NOS1 1161/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 ALDH1A1 1117/4885TDP1 4229/4885NOS1 4147/4885

“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.