SCHEMBL319862

SCHEMBL319862

O=[N+]([O-])c1nn(C2CCCCO2)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.34
RIPK1 Q13546 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
RET P07949 1/20 0.31
RAB9A P51151 1/20 0.30
ABL1 P00519 1/20 0.30
LMNA P02545 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL9912461 0.83 CYP1A2 (0.35) ALDH1A1POLBKMT2ASMN1; SMN2KDM5B
SCHEMBL9912468 0.81 CYP1A2 (0.35) ALDH1A1KMT2ACYP1A2HPGDRAB9A
SCHEMBL17610374 0.79 ATR (0.35) ALDH1A1POLBKMT2ASMN1; SMN2RAB9A
SCHEMBL15465350 0.78 SLC18A3 (0.32) KMT2AABL1
SCHEMBL15465348 0.78 SLC18A3 (0.32) KMT2AABL1
SCHEMBL15465141 0.77 SLC18A3 (0.31) KMT2AABL1
SCHEMBL15465140 0.77 SLC18A3 (0.31) KMT2AABL1
SCHEMBL1690922 0.76 ABL1 (0.30) ABL1
SCHEMBL15464452 0.76
SCHEMBL20641237 0.76 GAA (0.37) ALDH1A1KMT2ACYP2C19KDM5BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023051753-A1 PREPARATION METHOD FOR ROCK INHIBITOR, INTERMEDIATE THEREOF AND PREPARATION METHOD FOR INTERMEDIATE 武汉朗来科技发展有限公司 2023-04-06 WO disclosed
CN-115894463-A Preparation method of ROCK inhibitor, intermediate thereof and preparation method of intermediate 武汉朗来科技发展有限公司 2023-04-04 CN disclosed
EP-3144300-B1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES DAIICHI SANKYO CO LTD (JP) 2017-12-20 EP disclosed
US-9845313-B2 Cycloalkane derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-12-19 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. 2017-10-12 US disclosed
EP-3194377-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2017-07-26 EP disclosed
EP-3144300-A1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES Daiichi Sankyo Company, Limited (JP) 2017-03-22 EP disclosed
US-20170001984-A1 CYCLOALKANE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-01-05 US disclosed
US-8541588-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2013-09-24 US disclosed
EP-2590972-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-15 EP disclosed
US-20130109667-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20120149679-A1 Sulfonamide Derivatives ICAGEN, INC. 2012-06-14 US disclosed
US-8153814-B2 Sulfonamide derivatives PFIZER LIMITED (GB) 2012-04-10 US disclosed
WO-2012004706-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
EP-2385938-A1 SULFONAMIDE DERIVATIVES Pfizer Limited (GB) 2011-11-16 EP disclosed
US-8040476-B2 Display device and method of producing the same MITSUBISHI ELECTRIC CORPORATION (JP) 2011-10-18 US disclosed
US-20100197655-A1 SULFONAMIDE DERIVATIVES Pfizer Limited Icagen, Inc. 2010-08-05 US disclosed
WO-2010079443-A1 SULFONAMIDE DERIVATIVES PFIZER LIMITED (GB) 2010-07-15 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-20100197655-A1 SULFONAMIDE DERIVATIVES SULT2A1, SULT1A1, TPST2 ALDH1A1 1369/4885POLB 3499/4885KMT2A 3314/4885
US-20170291890-A1 HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF HCCS, TP53, NME2 ALDH1A1 1707/4885POLB 2353/4885KMT2A 2175/4885
US-20170001984-A1 CYCLOALKANE DERIVATIVES TRPV1, TRPA1, SCNN1A ALDH1A1 718/4885POLB 3201/4885KMT2A 4560/4885
US-20130109667-A1 Chemical Compounds SCN1A, SCN7A, SCN1B ALDH1A1 1190/4885POLB 4344/4885KMT2A 2407/4885
US-20120149679-A1 Sulfonamide Derivatives SULT2A1, SULT1A1, TPST2 ALDH1A1 1369/4885POLB 3499/4885KMT2A 3314/4885

“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.