SCHEMBL863252

SCHEMBL863252

COCc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
POLB P06746 2/20 0.49
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
LMNA P02545 3/20 0.46
PKM P14618 2/20 0.44
ATM Q13315 1/20 0.43
S1PR4 O95977 1/20 0.43
VCAM1 P19320 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALPG P10696 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29005663 0.87 LMNA (0.49) TSHRMAPK1KMT2AMEN1MAPT
SCHEMBL28960511 0.86 TSHR (0.56) TSHRMAPK1KMT2AMEN1MAPT
SCHEMBL10686526 0.83 TDP1 (0.63) TSHRMAPK1KMT2AMEN1MAPT
SCHEMBL2949639 0.82 TSHR (0.60) TSHRMAPK1KMT2AMEN1MAPT
SCHEMBL1138939 0.81 POLB (0.48) TSHRMAPK1KMT2AMEN1MAPT
SCHEMBL30797376 0.81 TSHR (0.56) TSHRMAPK1KMT2AMEN1MAPT
SCHEMBL3124329 0.81 KMT2A (0.50) TSHRMAPK1KMT2AMEN1MAPT
SCHEMBL863341 0.80 TDP1 (0.53) TSHRMAPK1KMT2AMEN1MAPT
SCHEMBL7737640 0.80 TDP1 (0.53) MAPK1KMT2AMEN1MAPTALDH1A1
SCHEMBL18498675 0.80 ACHE (0.39) TSHRMAPK1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114967324-A Diamine compound, resin prepared from same, photosensitive resin composition and application 北京鼎材科技有限公司 2022-08-30 CN disclosed
CN-114967325-A Diamine compound, resin prepared from same, photosensitive resin composition and application 北京鼎材科技有限公司 2022-08-30 CN disclosed
EP-2621888-B1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE NOXELL CORP (US) 2018-09-12 EP disclosed
US-9216945-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2015-12-22 US disclosed
US-9216945-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2015-12-22 US disclosed
US-9216945-B2 Methods of synthesizing 2-substituted-1,4-benzenediamine THE PROCTER & GAMBLE COMPANY (US) 2015-12-22 US disclosed
EP-2474536-B1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF IHARA CHEMICAL IND CO (JP) 2014-06-25 EP disclosed
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTOR & GAMBLE COMPANY (US) 2014-03-20 US disclosed
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTOR & GAMBLE COMPANY (US) 2014-03-20 US disclosed
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE THE PROCTOR & GAMBLE COMPANY (US) 2014-03-20 US disclosed
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2011-01-13 US disclosed
EP-2173749-B1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LTD (GB) 2011-01-12 EP disclosed
CN-101743246-A 2-oxo-2- (2-phenyl-5,6,7,8-tetrahydro-indolizin-3-yl) -acetamide derivatives and related compounds as antifungal agents F2G LTD 2010-06-16 CN disclosed
EP-2173749-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G Limited (GB) 2010-04-14 EP disclosed
CN-101679410-A 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2010-03-24 CN disclosed
US-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD. 2010-03-04 US disclosed
WO-2009144473-A1 ANTIFUNGAL COMBINATION THERAPY F2G LIMITED (GB) 2009-12-03 WO disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008145963-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS F2G LIMITED (GB) 2008-12-04 WO disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 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 (3 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-20100056511-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS NAT1, AGXT, CYP1A2 TSHR 2634/4885MAPK1 2533/4885KMT2A 1472/4885
US-20110009390-A1 2-OXO-2- (2-PHENYL-5,6,7,8-TETRAHYDRO-INDOLIZIN-3-YL) -ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ANTIFUNGAL AGENTS NAT1, FOXM1, CYP51A1 TSHR 2133/4885MAPK1 1211/4885KMT2A 1776/4885
US-20140081049-A1 METHODS OF SYNTHESIZING 2- SUBSTITUTED-1,4-BENZENEDIAMINE TYR, BTD, BRD4 TSHR 3127/4885MAPK1 4015/4885KMT2A 626/4885

“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.