SCHEMBL9134841

SCHEMBL9134841

O=C(O)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.78
SRD5A2 P31213 2/20 0.70
FBP1 P09467 2/20 0.66
MAOB P27338 5/20 0.61
BCHE P06276 1/20 0.61
CYP1B1 Q16678 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
PTPN1 P18031 1/20 0.60
PTPN12 Q05209 1/20 0.60
PTPN22 Q9Y2R2 1/20 0.60
PTGS2 P35354 2/20 0.59
PTGS1 P23219 1/20 0.59
APP P05067 1/20 0.58
MAOA P21397 3/20 0.58
NPC1 O15118 1/20 0.58
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
CES1 P23141 1/20 0.57

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
SCHEMBL9134846 1.00 TDP1 (0.78) TDP1SRD5A2FBP1MAOBBCHE
SCHEMBL6304378 0.89 TDP1 (0.78) TDP1SRD5A2FBP1MAOBBCHE
SCHEMBL9136940 0.89 MAOB (0.80) TDP1SRD5A2MAOBBCHECYP1B1
SCHEMBL9136943 0.89 MAOB (0.80) TDP1SRD5A2MAOBBCHECYP1B1
Terephthalic Acid SCHEMBL28023943 0.88 TDP1 (1.00) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL43476 0.88 TDP1 (1.00) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL11331124 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL1566327 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL17332065 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL7553997 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 US claimed
CN-114384756-A Resin composition, toner for developing electrostatic image, image forming method, photosensitive adhesive, and photoswitch material 柯尼卡美能达株式会社 2022-04-22 CN disclosed
US-20220119424-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES ELITechGroup MDX, LLC (US) 2022-04-21 US disclosed
US-11242554-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes ELITECHGROUP, INC. (US) 2022-02-08 US disclosed
US-11242554-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes ELITECHGROUP, INC. (US) 2022-02-08 US disclosed
US-20200299755-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES ELITECHGROUP, INC. (US) 2020-09-24 US disclosed
US-20200299755-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES ELITECHGROUP, INC. (US) 2020-09-24 US disclosed
US-10738346-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes ELITECHGROUP, INC. (US) 2020-08-11 US disclosed
US-10738346-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes ELITECHGROUP, INC. (US) 2020-08-11 US disclosed
US-20180258471-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES ELITECHGROUP B.V. (NL) 2018-09-13 US disclosed
US-5464912-A Adduct with rodlike mesogenic moiety, adduct made by reacting polyepoxide with nitro/so/ compound having epoxy-reactive hydrogen; conversion of hydroxyl product to ether, ester, halide, urethane, ketone, alkane; reducing nitro/so/ to amine THE DOW CHEMICAL COMPANY (US) 1995-11-07 US disclosed
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 US disclosed
US-5344898-A Curable composition with stilbene groups and molecular orientation THE DOW CHEMICAL COMPANY (US) 1994-09-06 US disclosed
US-5298575-A Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities THE DOW CHEMICAL COMPANY (US) 1994-03-29 US disclosed
US-4261855-A OPTICAL BRIGHTENERS, FLUORESCENT DYES CIBA-GEIGY CORPORATION (US) 1981-04-14 US 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 (5 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-20220119424-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES DNTT, NME2, DUT TDP1 204/4885SRD5A2 1419/4885FBP1 2022/4885
US-20200299755-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES DNTT, NME2, DUT TDP1 204/4885SRD5A2 1419/4885FBP1 2022/4885
US-10738346-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes DNTT, NME2, DUT TDP1 204/4885SRD5A2 1419/4885FBP1 2022/4885
US-11242554-B2 Nitrodiarylethenes as fluorescence quenchers for nucleic acid probes DNTT, NME2, DUT TDP1 204/4885SRD5A2 1419/4885FBP1 2022/4885
US-20180258471-A1 NITRODIARYLETHENES AS FLUORESCENCE QUENCHERS FOR NUCLEIC ACID PROBES DNTT, NME2, DUT TDP1 204/4885SRD5A2 1419/4885FBP1 2022/4885

“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.