Iniparib

Iniparib

SCHEMBL242006

NC(=O)c1ccc(I)c([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 1.00
▸ GAA P10253 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ PKM P14618 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TSHR P16473 2/20 0.52
▸ LMNA P02545 7/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ POLB P06746 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ CTPS1 P17812 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ MAPT P10636 5/20 0.48
▸ HTT P42858 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47

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
Iniparib SCHEMBL29354973 1.00 PARP1 (1.00) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL10954211 0.85 PARP1 (0.74) PARP1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL1766442 0.84 PARP1 (0.72) PARP1TSHRLMNACASP6
SCHEMBL30995722 0.84 PARP1 (0.72) PARP1TSHRLMNACASP6
SCHEMBL8629267 0.84 PARP1 (0.72) PARP1GAAALDH1A1L3MBTL1TSHR
SCHEMBL15427439 0.84 PARP1 (0.72) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL1254186 0.83 PARP1 (0.71) PARP1GAAALDH1A1PKML3MBTL1
SCHEMBL27901177 0.82 PARP1 (0.69) PARP1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL3181806 0.82 PARP1 (0.70) PARP1ALDH1A1PKML3MBTL1TSHR
SCHEMBL1767399 0.82 PARP1 (0.70) PARP1ALDH1A1TSHRLMNACASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4713017-A1 CHIMERIC MOLECULE UCL Business Ltd (GB) 2026-03-25 — — EP claimed
EP-4190786-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2025-02-26 — — EP claimed
WO-2024236326-A1 CHIMERIC MOLECULE UCL BUSINESS LTD (GB) 2024-11-21 — — WO claimed
US-20240335465-A1 A NON-CANONICAL SIGNALING ACTIVITY OF CGAMP TRIGGERS DNA DAMAGE RESPONSE SIGNALING UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2024-10-10 — — US claimed
CN-117106735-B Recombinant viral vector and pseudovirus of Nib virus, and preparation method and application thereof 中山大学 2024-06-18 — — CN claimed
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases EDISON ONCOLOGY (US) 2024-05-16 — — US claimed
EP-4297746-A2 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED COMPOUNDS AND THERAPIES FOR THE TREATMENT OF DISEASES Edison Oncology (US) 2024-01-03 — — EP claimed
CN-117106735-A Recombinant viral vector and pseudovirus of Nib virus, and preparation method and application thereof 中山大学 2023-11-24 — — CN claimed
CN-114939418-B Pd-containing device 1 Monoatomic catalyst with M/carrier structure and application thereof 北京单原子催化科技有限公司 2023-06-16 — — CN claimed
EP-4190786-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2023-06-07 — — EP claimed
US-20080319054-A1 Treatment of Cancer BIPAR SCIENCES, INC. 2008-12-25 — — US claimed
CN-101190211-A Application of aromatic nitro compound in preparing medicine for treating virus hepatitis CRIMSON PHARMACEUTICAL SHANGHA (CN) 2008-06-04 — — CN claimed
CN-1768733-A Application of aromatic nitro compound in preparation of medicine for treating AIDS CRIMSON PHARMACEUTICAL (CN) 2006-05-10 — — CN claimed
CN-1768732-A Application of aromatic nitro compound in preparation of medicine for treating tumor CRIMSON PHARMACEUTICAL (CN) 2006-05-10 — — CN claimed
US-5877185-A THERAPY FOR CANCER OR RETROVIRUS OCTAMER, INC. (US) 1999-03-02 — — US claimed
EP-0698019-B1 NOVEL AROMATIC NITRO COMPOUNDS AND THEIR METABOLITES USEFUL AS ANTI-VIRAL AND ANTI-TUMOR AGENTS OCTAMER INC (US) 1998-08-05 — — EP claimed
WO-1996022791-A9 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS — 1996-10-03 — — WO claimed
WO-1996022791-A1 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS OCTAMER, INC. (US) 1996-08-01 — — WO claimed
EP-0698019-A1 NOVEL AROMATIC NITRO COMPOUNDS AND THEIR METABOLITES USEFUL AS ANTI-VIRAL AND ANTI-TUMOR AGENTS OCTAMER, INC. (US) 1996-02-28 — — EP claimed
WO-1994026730-A2 NOVEL AROMATIC NITRO AND NITROSO COMPOUNDS AND THEIR METABOLITES USEFUL AS ANTI-VIRAL AND ANTI-TUMOR AGENTS OCTAMER, INC. (US) 1994-11-24 — — WO claimed

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-20080319054-A1 Treatment of Cancer PARP1, PARP2, PARP3 PARP1 1/4885GAA 253/4885ALDH1A1 794/4885
US-20240156808-A1 Compositions and methods to improve the therapeutic benefit of suboptimally chemical compounds and biological therapies including substituted camptothecins such as irinotecan and topotecan for the treatment of benign and neoplastic hyperproliferative disease conditions, infections, inflammatory and immunological diseases TOP2A, TOP2B, TOP1 PARP1 92/4885GAA 992/4885ALDH1A1 3441/4885
US-20240335465-A1 A NON-CANONICAL SIGNALING ACTIVITY OF CGAMP TRIGGERS DNA DAMAGE RESPONSE SIGNALING CGAS, ATM, CHEK2 PARP1 37/4885GAA 1735/4885ALDH1A1 4052/4885

“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.

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