Sugi Predict

Sugi Predict / Compounds / 4-Nitrobenzoic Acid

4-Nitrobenzoic Acid

4-Nitrobenzoic Acid

SCHEMBL7553997

O=C(O)c1ccc([N+](=O)[O-])cc1.[LiH]

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.95
▸ SRD5A2 P31213 2/20 0.84
▸ MEN1 O00255 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ CES1 P23141 2/20 0.68
▸ CA1 P00915 2/20 0.65
▸ CA2 P00918 2/20 0.65
▸ CES2 O00748 1/20 0.64
▸ MAPK1 P28482 2/20 0.63
▸ TSHR P16473 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ POLB P06746 1/20 0.58
▸ GSK3B P49841 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ GAA P10253 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
Terephthalic Acid SCHEMBL28023943 0.98 TDP1 (1.00) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL43476 0.98 TDP1 (1.00) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL11773857 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL17332086 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL9316553 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL1566327 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL17332065 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL3860571 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL11331124 0.95 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL10439552 0.95 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110233289-A A kind of high voltage additive and electrolyte and battery containing the additive 李秀艳 2019-09-13 — — CN claimed
US-11192875-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2021-12-07 — — US disclosed
US-20200392100-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2020-12-17 — — US disclosed
US-10584109-B2 Processes for preparing antiviral compounds Gillead Pharmasset LLC (US) 2020-03-10 — — US disclosed
CN-110233289-A A kind of high voltage additive and electrolyte and battery containing the additive 李秀艳 2019-09-13 — — CN disclosed
US-20190263771-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2019-08-29 — — US disclosed
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2018-06-28 — — US disclosed
US-9890134-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2018-02-13 — — US disclosed
US-20170283390-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 — — US disclosed
US-9670187-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-06 — — US disclosed
EP-3154984-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2017-04-19 — — EP disclosed
CN-106488920-A The preparation method of antiviral compound 吉利德制药有限责任公司 2017-03-08 — — CN disclosed
US-20150361073-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-17 — — US disclosed
WO-2015191437-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2015-12-17 — — WO disclosed
CN-1373112-A Method for producing allyl halide SUMITOMO CHEMICAL CO (JP) 2002-10-09 — — CN disclosed
EP-1231197-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-08-14 — — EP disclosed
US-20020107422-A1 Process for producing allyl halide compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2002-08-08 — — 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 (8 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-10584109-B2 Processes for preparing antiviral compounds MAVS, EIF2AK2, SAMHD1 TDP1 1033/4885SRD5A2 1567/4885MEN1 3235/4885
US-11192875-B2 Processes for preparing antiviral compounds MAVS, EIF2AK2, SAMHD1 TDP1 1033/4885SRD5A2 1567/4885MEN1 3235/4885
US-20170283390-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 TDP1 1033/4885SRD5A2 1567/4885MEN1 3235/4885
US-20150361073-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 TDP1 1033/4885SRD5A2 1567/4885MEN1 3235/4885
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 TDP1 1033/4885SRD5A2 1567/4885MEN1 3235/4885
US-20200392100-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 TDP1 1033/4885SRD5A2 1567/4885MEN1 3235/4885
US-20190263771-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 TDP1 1033/4885SRD5A2 1567/4885MEN1 3235/4885
US-20020107422-A1 Process for producing allyl halide compound ENY2, ZYX, RPS4Y1 TDP1 4188/4885SRD5A2 127/4885MEN1 2760/4885

“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.