SCHEMBL1645671

SCHEMBL1645671

[O]c1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
HPRT1 P00492 1/20 0.58
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
CASP6 P55212 1/20 0.49
CTSB P07858 2/20 0.48
CYP3A4 P08684 2/20 0.47
HNF4A P41235 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 3/20 0.42
CYP2A6 P11509 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
AR P10275 1/20 0.41
RXRA P19793 1/20 0.41
ALOX15 P16050 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
SCHEMBL18553512 0.82 ALDH1A1 (0.60) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL187452 0.80 TSHR (0.65) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL7985136 0.78 ALDH1A1 (0.60) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL28058443 0.78 CASP6 (0.66) ALDH1A1HPRT1TSHRTDP1CASP6
Hydrochloric Acid SCHEMBL28323697 0.78 TSHR (0.62) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL3057901 0.78 ALDH1A1 (0.60) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL9489459 0.78 ALDH1A1 (0.60) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL9187297 0.78 ALDH1A1 (0.60) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL1135597 0.78 ALDH1A1 (0.60) ALDH1A1HPRT1TSHRTDP1CASP6
SCHEMBL5941163 0.78 ALDH1A1 (0.60) ALDH1A1HPRT1TSHRTDP1CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745372-B2 Compound, resin, material for forming underlayer film for lithography, underlayer film for lithography, pattern forming method, and purification method MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-08-18 US claimed
US-4246172-A FOR DYEING TEXTILES SUCH AS POLYACRYLONITRILE, AND ACID MODIFIED POLYESTERS AND POLYAMIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US claimed
US-10745372-B2 Compound, resin, material for forming underlayer film for lithography, underlayer film for lithography, pattern forming method, and purification method MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-08-18 US disclosed
US-20180029968-A1 COMPOUND, RESIN, MATERIAL FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY, COMPOSITION FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY, UNDERLAYER FILM FOR LITHOGRAPHY, RESIST PATTERN FORMING METHOD, CIRCUIT PATTERN FORMING METHOD, AND PURIFICATION METHOD OF COMPOUND OR RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-02-01 US disclosed
EP-3257835-A1 COMPOUND, RESIN, LITHOGRAPHY UNDERLAYER FILM FORMING MATERIAL, LITHOGRAPHY UNDERLAYER FILM FORMING COMPOSITION, LITHOGRAPHY UNDERLAYER FILM, METHOD FOR FORMING RESIST PATTERN, METHOD FOR FORMING CIRCUIT PATTERN, AND METHOD FOR PURIFYING COMPOUND OR RESIN Mitsubishi Gas Chemical Company, Inc. (JP) 2017-12-20 EP disclosed
US-20170349564-A1 COMPOUND, RESIN, MATERIAL FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY, UNDERLAYER FILM FOR LITHOGRAPHY, PATTERN FORMING METHOD, AND PURIFICATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-12-07 US disclosed
EP-3239141-A1 COMPOUND, RESIN, UNDERLAYER FILM FORMING MATERIAL FOR LITHOGRAPHY, UNDERLAYER FILM FOR LITHOGRAPHY, PATTERN FORMING METHOD AND PURIFICATION METHOD Mitsubishi Gas Chemical Company, Inc. (JP) 2017-11-01 EP disclosed
US-8467018-B2 Color filter and liquid crystal display device TOPPAN PRINTING CO., LTD. (JP) 2013-06-18 US disclosed
US-20110149216-A1 Color filter, coloring composition for color filter and liquid crystal display device TOPPAN PRINTING CO., LTD (JP) 2011-06-23 US disclosed
US-7948583-B2 Color filter, coloring composition for color filter and liquid crystal display device TOPPAN PRINTING CO., LTD. (JP) 2011-05-24 US disclosed
US-20110096274-A1 Color filter and liquid crystal display device TOPPAN PRINTING CO., LTD. (JP) 2011-04-28 US disclosed
US-20090284697-A1 Color filter and liquid crystal display device TOPPAN PRINTING CO., LTD. (JP) 2009-11-19 US disclosed
US-20080180611-A1 Color filter, coloring composition for color filter and liquid crystal display device TOPPAN PRINTING CO., LTD. (JP) 2008-07-31 US disclosed
EP-0732399-A2 Chymotrypsin-like proteases and their inhibitors CEPHALON, INC. (US) 1996-09-18 EP disclosed
EP-0518955-A4 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS 1993-09-22 EP disclosed
EP-0518955-A1 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS CEPHALON, INC. (US) 1992-12-23 EP disclosed
WO-1991013904-A1 CHYMOTRYPSIN-LIKE PROTEASES AND THEIR INHIBITORS CEPHALON, INC. (US) 1991-09-19 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-20170349564-A1 COMPOUND, RESIN, MATERIAL FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY, UNDERLAYER FILM FOR LITHOGRAPHY, PATTERN FORMING METHOD, AND PURIFICATION METHOD ASH2L, MLLT1, FRG1 ALDH1A1 1912/4885HPRT1 1421/4885TSHR 3984/4885
US-20180029968-A1 COMPOUND, RESIN, MATERIAL FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY, COMPOSITION FOR FORMING UNDERLAYER FILM FOR LITHOGRAPHY, UNDERLAYER FILM FOR LITHOGRAPHY, RESIST PATTERN FORMING METHOD, CIRCUIT PATTERN FORMING METHOD, AND PURIFICATION METHOD OF COMPOUND OR RESIN PRMT9, ARGLU1, MLLT1 ALDH1A1 1309/4885HPRT1 2127/4885TSHR 2806/4885
US-10745372-B2 Compound, resin, material for forming underlayer film for lithography, underlayer film for lithography, pattern forming method, and purification method ASH2L, MLLT1, FRG1 ALDH1A1 1912/4885HPRT1 1421/4885TSHR 3984/4885

“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.