SCHEMBL790761

SCHEMBL790761

Nc1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.61
ALDH1A1 P00352 6/20 0.59
CYP3A4 P08684 3/20 0.59
TSHR P16473 3/20 0.57
GAA P10253 1/20 0.57
THRB P10828 1/20 0.57
HTT P42858 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
ALOX15 P16050 1/20 0.52
XDH P47989 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL10173065 0.85 CYP3A4 (0.60) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL3030993 0.82 LMNA (0.56) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL78293 0.79 CYP3A4 (0.69) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL29353815 0.79 CYP3A4 (0.69) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL392484 0.78 TDP1 (0.61) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL2569715 0.78 GPR35 (0.59) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL222956 0.77 XDH (0.67) TDP1ALDH1A1CYP3A4TSHRHTT
Hydrochloric Acid SCHEMBL970605 0.77 CYP3A4 (0.67) TDP1ALDH1A1CYP3A4TSHRGAA
Methane SCHEMBL28785435 0.77 CYP3A4 (0.67) TDP1ALDH1A1CYP3A4TSHRGAA
SCHEMBL11684415 0.77 TDP1 (0.65) TDP1ALDH1A1CYP3A4TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039285-A Bisindole crown ether diamine and preparation method and application thereof 西南科技大学 2024-11-29 CN claimed
CN-118852686-A Epoxy resin film and preparation method thereof 西南科技大学 2024-10-29 CN claimed
CN-111892553-A Method for synthesizing ammonium acetate mediated benzothiazole compound 衡阳师范学院 2020-11-06 CN claimed
US-20070191488-A1 Method for the treatment of a ubiquitin conjugating disorder BANERJEE AMIT 2007-08-16 US claimed
EP-1778011-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF UBIQUITIN CONJUGATING DISORDERS Hygeia Biological Systems (US) 2007-05-02 EP claimed
WO-2006020681-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF UBIQUITIN CONJUGATING DISORDERS HYGEIA BIOLOGICAL SYSTEMS (US) 2006-02-23 WO claimed
US-20060035890-A1 Compounds and methods for the treatment of ubiquitin conjugating disorders AMIT BANERJEE 2006-02-16 US claimed
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors GLENMARK SPECIALITY S.A. (CH) 2026-03-17 US disclosed
US-20250312362-A1 INHIBITORS OF MsbA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-10-09 US disclosed
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
EP-4525851-A1 INHIBITORS OF MSBA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme LLC (US) 2025-03-26 EP disclosed
WO-2025034034-A1 NOVEL COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR TUMORS COMPRISING SAME 주식회사 대웅제약 2025-02-13 WO disclosed
CN-119039285-A Bisindole crown ether diamine and preparation method and application thereof 西南科技大学 2024-11-29 CN disclosed
EP-0644187-A1 Antimigraine cyclobutenedione derivatives of tryptamines BRISTOL-MYERS SQUIBB COMPANY (US) 1995-03-22 EP disclosed
US-5382592-A Antimigraine cyclobutenedione derivatives of tryptamines BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US disclosed
US-4567280-A NITROGEN DIOXIDE; BY-PRODUCT INHIBITION UBE INDUSTRIES, LTD. (JP) 1986-01-28 US disclosed
US-4239708-A P-Phenylene bis[imino(thiocarbonyl)] diphosphoramidic acid esters as anthelmentic agents AMERICAN CYANAMID COMPANY (US) 1980-12-16 US disclosed
US-4172098-A REACTION OF A HALOAMINOBENZOIC ACID WITH AN ALCOHOL AND NITROSYLATING AGENT IN THE PRESCENCE OF AN ACID AND WATER BASF AKTIENGESELLSCHAFT (DE) 1979-10-23 US disclosed
US-4137310-A LARVICIDES AMERICAN CYANAMID COMPANY (US) 1979-01-30 US disclosed
US-4053527-A REACTING HALONITROANILINES WITH ALCOHOLS AND NITROSATING AGENTS ION BASF AKTIENGESELLSCHAFT (DT) 1977-10-11 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-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors PTK2B, MAP3K10, MAP3K20 TDP1 714/4885ALDH1A1 4346/4885CYP3A4 3045/4885
US-20250312362-A1 INHIBITORS OF MsbA AS ANTIBIOTICS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MSRB3, ABCC1, MRPS34 TDP1 4765/4885ALDH1A1 4233/4885CYP3A4 900/4885

“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.