SCHEMBL4053019

SCHEMBL4053019

Cc1cccc(Cc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GPR35 Q9HC97 1/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6926349 0.89 SMN1; SMN2 (0.48) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL731101 0.82 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL28316374 0.82 ALDH1A1 (0.44) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL8743756 0.81 TSHR (0.40) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL28173524 0.81 CYP1A2 (0.46) TSHRSMN1; SMN2ALDH1A1TDP1MEN1
Hydrochloric Acid SCHEMBL11759847 0.81 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL27855286 0.81 HSD17B10 (0.58) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL284471 0.80 ALDH1A1 (0.42) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL284468 0.80 ALDH1A1 (0.42) TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL1057139 0.78 KMT2A (0.49) TSHRALDH1A1MEN1KMT2AGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104752171-B gap filling material and method 台湾积体电路制造股份有限公司 2018-02-27 CN disclosed
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed
US-6921623-B2 Active components and photosensitive resin composition containing the same KRI, INC. (JP) 2005-07-26 US disclosed
US-20040014834-A1 Light scattering reflection substrate-use photosensitive resin composition, light scattering reflection substrate, and production methods therefor NIPPON SHEET GLASS CO., LTD. (JP) 2004-01-22 US disclosed
EP-1375463-A1 OPTICALLY ACTIVE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Kansai Research Institute, Inc. (JP) 2004-01-02 EP disclosed
US-20030211421-A1 Optically active compound and photosensitive resin composition KRI, INC. (JP) 2003-11-13 US disclosed
US-20030064320-A1 Active components and photosensitive resin composition containing the same KRI, INC. (JP) 2003-04-03 US disclosed
US-6534235-B1 Photosensitive resin and inorganic particles having a functional group obtained by a reaction between inorganic particles and a coupling agent KANSAI RESEARCH INSTITUTE, INC. (JP) 2003-03-18 US disclosed
EP-1265103-A1 ACTIVE COMPONENTS AND PHOTOSENSITIVE RESIN COMPOSITIONS CONTAINING THE SAME Kansai Research Institute, Inc. (JP) 2002-12-11 EP 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-20030211421-A1 Optically active compound and photosensitive resin composition ARCN1, RAD51, PAM TSHR 4402/4885SMN1; SMN2 2743/4885ALDH1A1 1552/4885

“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.