SCHEMBL18816151

SCHEMBL18816151

Cc1cccc([N+](=O)[O-])c1C=CN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MCOLN3 Q8TDD5 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL18842342 1.00 HSD17B10 (0.50) HSD17B10SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL18816134 0.99 HSD17B10 (0.49) HSD17B10SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL14185148 0.89 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1TDP1KMT2AHTT
SCHEMBL28103719 0.89 MAPT (0.46) HSD17B10SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL18816155 0.83 SIGMAR1 (0.45) SMN1; SMN2TSHRALDH1A1TDP1KMT2A
SCHEMBL1126961 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TDP1KMT2AHTT
SCHEMBL1126964 0.82 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TDP1KMT2AHTT
SCHEMBL25286798 0.82 ALDH1A1 (0.43) HSD17B10SMN1; SMN2ALDH1A1TDP1KMT2A
SCHEMBL18816133 0.82 ALDH1A1 (0.45) SMN1; SMN2TSHRALDH1A1TDP1KMT2A
SCHEMBL25286797 0.82 ALDH1A1 (0.43) HSD17B10SMN1; SMN2ALDH1A1TDP1KMT2A

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-106232572-B The manufacturing method of nitro compound 住友化学株式会社 2018-11-13 CN disclosed
US-9975844-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-22 US disclosed
CN-106164041-B The manufacture method of nitro compound 住友化学株式会社 2018-05-04 CN disclosed
US-9822061-B2 Method for producing nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-21 US disclosed
US-20170144961-A1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-25 US disclosed
US-20170129846-A1 METHOD FOR PRODUCING NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-11 US disclosed
CN-106232572-A The manufacture method of nitro compound 住友化学株式会社 2016-12-14 CN disclosed
CN-106164041-A The manufacture method of nitro compound 住友化学株式会社 2016-11-23 CN 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 (2 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-20170144961-A1 METHOD FOR PRODUCING NITRO COMPOUND NOS2, CYP11B2, NOS1 HSD17B10 252/4885SMN1; SMN2 2762/4885TSHR 2561/4885
US-20170129846-A1 METHOD FOR PRODUCING NITRO COMPOUND NOX1, NOS1, NOX3 HSD17B10 879/4885SMN1; SMN2 3073/4885TSHR 413/4885

“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.