SCHEMBL8662272

SCHEMBL8662272

CCCOCc1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 1/20 0.40
BRD4 O60885 1/20 0.40
MITF O75030 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 7/20 0.39
HSD17B10 Q99714 3/20 0.38
POLB P06746 2/20 0.36
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRA2B P18089 1/20 0.34
PTGS1 P23219 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL9452735 0.89 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19KDM4EL3MBTL1
SCHEMBL20008258 0.87 CYP3A4 (0.41) CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL648261 0.85 L3MBTL1 (0.45) KDM4ENPC1BRD4MITFL3MBTL1
SCHEMBL20008606 0.83 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19KDM4EL3MBTL1
SCHEMBL7689047 0.83 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL541805 0.83 ALOX15 (0.45) L3MBTL1ALDH1A1POLBCASP1CASP7
SCHEMBL19675835 0.82 TAAR1 (0.39) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL18217417 0.79 CYP3A4 (0.41) L3MBTL1ALDH1A1POLBCASP1CASP7
SCHEMBL18184992 0.78 NR1I2 (0.38) CYP1A2CYP2C9CYP2C19KDM4ENPC1
SCHEMBL10593611 0.78 TAAR1 (0.42) KDM4ENPC1BRD4MITFL3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105849082-B The manufacturing method of nitro compound 住友化学株式会社 2018-07-13 CN disclosed
EP-3088382-B1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL CO (JP) 2018-07-11 EP disclosed
US-9561998-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-11-03 US disclosed
EP-3088382-A1 METHOD FOR PRODUCING NITRO COMPOUND Sumitomo Chemical Company Limited (JP) 2016-11-02 EP disclosed
CN-105849082-A Method for producing nitro compound 住友化学株式会社 2016-08-10 CN disclosed
EP-0877815-A1 METHOD OF PRODUCING OPTICALLY ACTIVE AMINES BAYER AG (DE) 1998-11-18 EP disclosed
WO-1997028271-A1 METHOD OF PRODUCING OPTICALLY ACTIVE AMINES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-07 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 (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-20160318846-A1 METHOD FOR PRODUCING NITRO COMPOUND NOS1, NOS3, NOS2 CYP1A2 125/4885CYP2C9 51/4885CYP2C19 184/4885

“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.