SCHEMBL1027041

SCHEMBL1027041

COc1ccc([N+](=O)[O-])cc1I

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
HTT P42858 4/20 0.61
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
PTGS2 P35354 2/20 0.53
CYP19A1 P11511 1/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KCNMA1 Q12791 1/20 0.48
HPGD P15428 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
RAB9A P51151 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
SCHEMBL38657150 1.00 TDP1 (0.64) TDP1HTTLMNASMN1; SMN2PTGS2
SCHEMBL31075422 0.85 HTT (0.66) TDP1HTTLMNASMN1; SMN2PTGS2
SCHEMBL446056 0.85 HTT (0.66) TDP1HTTLMNASMN1; SMN2PTGS2
SCHEMBL23255814 0.85 HSPB1 (0.49) TDP1HTTLMNASMN1; SMN2MEN1
SCHEMBL8066340 0.85 TDP1 (0.44) TDP1HTTLMNASMN1; SMN2PTGS2
SCHEMBL527567 0.82 HTT (0.72) TDP1HTTLMNASMN1; SMN2PTGS2
SCHEMBL29441283 0.82 HTT (0.72) TDP1HTTLMNASMN1; SMN2PTGS2
SCHEMBL17467709 0.81 TDP1 (0.46) TDP1HTTLMNASMN1; SMN2MEN1
SCHEMBL13578458 0.81 TDP1 (0.42) TDP1HTTLMNASMN1; SMN2PTGS2
SCHEMBL4962536 0.81 MAPT (0.55) TDP1HTTLMNASMN1; SMN2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117913367-A Preparation method of composite organic solvent, electrolyte and lithium-sulfur battery 东方电气集团科学技术研究院有限公司 2024-04-19 CN claimed
WO-2024244972-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2024-12-05 WO disclosed
CN-117913367-A Preparation method of composite organic solvent, electrolyte and lithium-sulfur battery 东方电气集团科学技术研究院有限公司 2024-04-19 CN disclosed
US-20240050576-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2024-02-15 US disclosed
CN-117362642-A Polyimide with high Tg and low dielectric constant, and preparation method and application thereof 中国科学院福建物质结构研究所 2024-01-09 CN disclosed
EP-4285906-A2 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme Inc (US) 2023-12-06 EP disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
US-20230149550-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-05-18 US disclosed
US-20230149550-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-05-18 US disclosed
CN-1835923-A Process for preparing 4-amino-3-quinolinecarbonitriles WYETH CORP (US) 2006-09-20 CN disclosed
EP-1660453-A2 PROCESS FOR THE PREPARATION OF 4-AMINO-3-QUINOLINECARBONITRILES Wyeth Holdings Corporation (US) 2006-05-31 EP disclosed
WO-2006055734-A2 3-PHENYL-PYRAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2006-05-26 WO disclosed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 WO disclosed
US-6943257-B2 Process for preparation of aromatic halides from aromatic amines BAIK WOON PHIL (KR) 2005-09-13 US disclosed
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 US disclosed
WO-2005019201-A2 PROCESS FOR THE PREPARATION OF 4-AMINO-3-QUINOLINECARBONITRILES WYETH HOLDINGS CORPORATION (US) 2005-03-03 WO disclosed
US-20050043537-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles WYETH HOLDINGS CORPORATION (US) 2005-02-24 US disclosed
US-20040092728-A1 Process for preparation of aromatic halides from aromatic amines BAIK WOON PHIL (KR) 2004-05-13 US disclosed
WO-2002053545-A1 PROCESS FOR PREPARATION OF AROMATIC HALIDES FROM AROMATIC AMINES BAIK WOON PHIL (KR) 2002-07-11 WO 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 TDP1 1963/4885HTT 4796/4885LMNA 3783/4885
US-20230149550-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE DMPK, DTYMK, MYCBP TDP1 70/4885HTT 32/4885LMNA 136/4885
US-20050043537-A1 Process for preparation of 4-amino-3-quinolinecarbonitriles BTF3, PTMS, BCAT2 TDP1 2490/4885HTT 3170/4885LMNA 2391/4885
US-20040092728-A1 Process for preparation of aromatic halides from aromatic amines AHR, CYC1, HCCS TDP1 1855/4885HTT 335/4885LMNA 2546/4885
US-20240050576-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE ZFX, GRN, F13B TDP1 258/4885HTT 53/4885LMNA 159/4885

“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.