SCHEMBL628405

SCHEMBL628405

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

nearest known ligand 0.88

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.88
SRD5A2 P31213 2/20 0.78
MAPK1 P28482 2/20 0.70
POLB P06746 1/20 0.70
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
CES1 P23141 2/20 0.63
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CES2 O00748 1/20 0.60
TSHR P16473 1/20 0.59
ALDH1A1 P00352 1/20 0.59
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 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
Hydrochloric Acid SCHEMBL8991893 0.98 TDP1 (0.84) TDP1SRD5A2MAPK1POLBMEN1
4-Nitrobenzoic Acid SCHEMBL43476 0.94 TDP1 (1.00) TDP1SRD5A2MAPK1POLBMEN1
Terephthalic Acid SCHEMBL28023943 0.94 TDP1 (1.00) TDP1SRD5A2MAPK1POLBMEN1
4-Nitrobenzoic Acid SCHEMBL11648887 0.92 TDP1 (0.81) TDP1SRD5A2MAPK1POLBMEN1
4-Nitrobenzoic Acid SCHEMBL1566327 0.91 TDP1 (0.95) TDP1SRD5A2MAPK1POLBMEN1
4-Nitrobenzoic Acid SCHEMBL10439552 0.91 TDP1 (0.95) TDP1SRD5A2MAPK1POLBMEN1
4-Nitrobenzoic Acid SCHEMBL17332065 0.91 TDP1 (0.95) TDP1SRD5A2MAPK1POLBMEN1
4-Nitrobenzoic Acid SCHEMBL11773857 0.91 TDP1 (0.95) TDP1SRD5A2MAPK1POLBMEN1
4-Nitrobenzoic Acid SCHEMBL17332086 0.91 TDP1 (0.95) TDP1SRD5A2MAPK1POLBMEN1
4-Nitrobenzoic Acid SCHEMBL11331124 0.91 TDP1 (0.95) TDP1SRD5A2MAPK1POLBMEN1

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119306669-A Benzimidazole diamine and polybenzimidazole imide as well as preparation methods and application thereof 中广核研究院有限公司 2025-01-14 CN claimed
US-7304065-B2 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US claimed
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 US claimed
JP-2169582-A None JP disclosed
CN-119306669-A Benzimidazole diamine and polybenzimidazole imide as well as preparation methods and application thereof 中广核研究院有限公司 2025-01-14 CN disclosed
CN-118496135-B Thiourea compound or pharmaceutically acceptable salt thereof and application thereof as immunosuppressant 中国海洋大学 2024-11-15 CN disclosed
CN-118496135-A Thiourea compound or pharmaceutically acceptable salt thereof and application thereof as immunosuppressant 中国海洋大学 2024-08-16 CN disclosed
EP-3389781-B1 INHIBITORS OF TNF SUPERFAMILY COSTIMULATORY INTERACTIONS AND METHODS FOR USES OF THE SAME UNIV MIAMI (US) 2021-08-11 EP disclosed
US-10562848-B2 Inhibitors of TNF superfamily costimulatory interactions and methods for uses of the same UNIVERSITY OF MIAMI (US) 2020-02-18 US disclosed
US-20180370909-A1 INHIBITORS OF TNF SUPERFAMILY COSTIMULATORY INTERACTIONS AND METHODS FOR USES OF THE SAME UNIVERSITY OF MIAMI (US) 2018-12-27 US disclosed
EP-3389781-A1 INHIBITORS OF TNF SUPERFAMILY COSTIMULATORY INTERACTIONS AND METHODS FOR USES OF THE SAME University of Miami (US) 2018-10-24 EP 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-5346648-A Antiferroelectric liquid crystal compound and liquid crystal composition containing the same SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1994-09-13 US disclosed
US-5344898-A Curable composition with stilbene groups and molecular orientation THE DOW CHEMICAL COMPANY (US) 1994-09-06 US disclosed
EP-0592269-A1 Antiferroelectric liquid crystal compound and liquid crystal composition containing the same Showa Shell Sekiyu Kabushiki Kaisha (JP) 1994-04-13 EP 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
JP-H02169582-A NOVEL DIAMINE COMPOUND AND PRODUCTION THEREOF MITSUI TOATSU CHEM INC 1990-06-29 JP disclosed
US-4036838-A Process for the production of nitro derivatives of aromatic compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 US disclosed
US-4011173-A MODIFIED NEMATIC MIXTURES WITH POSITIVE DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-03-08 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 (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-20180370909-A1 INHIBITORS OF TNF SUPERFAMILY COSTIMULATORY INTERACTIONS AND METHODS FOR USES OF THE SAME CD40, TNFRSF9, TNFRSF1A TDP1 2916/4885SRD5A2 3491/4885MAPK1 393/4885
US-10562848-B2 Inhibitors of TNF superfamily costimulatory interactions and methods for uses of the same CD40, TNFRSF9, TNFRSF1A TDP1 2916/4885SRD5A2 3491/4885MAPK1 393/4885

“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.