SCHEMBL2961900

SCHEMBL2961900

O=C(Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
GPR35 Q9HC97 6/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 4/20 0.46
HPGD P15428 4/20 0.46
MEN1 O00255 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
RECQL P46063 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL1487913 0.86 CA1 (0.53) ALDH1A1GPR35LMNAKMT2AHPGD
SCHEMBL10483657 0.84 ALDH1A1 (0.50) ALDH1A1GPR35LMNAKMT2AHPGD
Hydrochloric Acid SCHEMBL2961904 0.84 CA1 (0.51) ALDH1A1GPR35LMNAKMT2AHPGD
SCHEMBL10563402 0.84 ALDH1A1 (0.50) ALDH1A1GPR35LMNAKMT2AHPGD
SCHEMBL2889129 0.84 ALDH1A1 (0.68) ALDH1A1GPR35LMNAKMT2AHPGD
SCHEMBL27262068 0.84 ALDH1A1 (0.64) ALDH1A1GPR35LMNAKMT2AMEN1
SCHEMBL7902277 0.84 GPR35 (0.47) ALDH1A1GPR35HPGDMAPK1TTR
SCHEMBL31413031 0.84 GPR35 (0.47) ALDH1A1GPR35HPGDMAPK1TTR
SCHEMBL3324248 0.82 ALDH1A1 (0.51) ALDH1A1GPR35LMNAKMT2AHPGD
SCHEMBL6325040 0.82 GPR35 (0.61) ALDH1A1GPR35LMNAKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102718678-B Pre-column derivation reagent and preparation process WUHAN WU PHARMACEUTICAL TECHNOLOGY CO LTD 2014-12-10 CN claimed
CN-102731339-B Pre-column derivatization agent and its synthesis method WUHAN WUYAO TECHNOLOGY CO LTD 2014-07-16 CN claimed
CN-102718678-B Pre-column derivation reagent and preparation process WUHAN WU PHARMACEUTICAL TECHNOLOGY CO LTD 2014-12-10 CN disclosed
CN-102276598-B Benzothiazine-thione derivatives, preparation method thereof and purpose thereof UNIV SICHUAN 2014-11-05 CN disclosed
US-20140303152-A1 BENZOTHIAZINETHIONE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF SICHUAN UNIVERSITY (CN) 2014-10-09 US disclosed
CN-102731339-B Pre-column derivatization agent and its synthesis method WUHAN WUYAO TECHNOLOGY CO LTD 2014-07-16 CN disclosed
EP-2719691-A1 BENZOTHIAZINETHIONE DERIVATIVES AND THEIR PREPARATIVE METHODS AND USES Si Chuan University (CN) 2014-04-16 EP disclosed
CN-102659616-B Pre-column derivatization reagent and preparation process HUBEI YUANDA FUCHI PHARMACEUTICAL CHEMICALS CO LTD 2014-03-26 CN disclosed
CN-102276598-A Benzothiazine-thione derivatives, preparation method thereof and purpose thereof 2011-12-14 CN disclosed
US-7776924-B2 Nitroaniline-based alkylating agents and their use as prodrugs AUCKLAND UNISERVICES LIMITED (NZ) 2010-08-17 US disclosed
CN-101735083-A Method for synthesizing dye intermediate of 2-amino-3,5-dinitroacetophenone UNIV YANGZHOU 2010-06-16 CN disclosed
EP-0004279-B1 PROCESS FOR THE PREPARATION OF 4-PYRIDONE-3-CARBOXYLIC ACIDS, 1-CYCLOPROPYL-4-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVES AND MEDICINES CONTAINING THEM BAYER AG (DE) 1982-12-29 EP disclosed
US-4284629-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
US-4281151-A ANTIALLERGENS, ANTIANAPHYLACTIC AGENTS THE UPJOHN COMPANY (US) 1981-07-28 US disclosed
US-4186127-A ANTIALLERGENS THE UPJOHN COMPANY (US) 1980-01-29 US disclosed
EP-0004279-A1 Process for the preparation of 4-pyridone-3-carboxylic acids, 1-cyclopropyl-4-pyridone-3-carboxylic acid derivatives and medicines containing them BAYER AG (DE) 1979-10-03 EP disclosed
US-4159278-A PROPHYAXIS, ANTIALLERGENS, SENSITIZATION THE UPJOHN COMPANY (US) 1979-06-26 US disclosed
US-4095028-A PROPHYLAXIS, ALLERGIES THE UPJOHN COMPANY (US) 1978-06-13 US disclosed
US-4089973-A Cyano phenylene dioxamic acid compounds used in the treatment of allergy THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-3993679-A ANTIALLERGY THE UPJOHN COMPANY (US) 1976-11-23 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 (1 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-20140303152-A1 BENZOTHIAZINETHIONE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF TST, SDHA, SDHB ALDH1A1 389/4885GPR35 3386/4885LMNA 2118/4885

“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.