SCHEMBL231014

SCHEMBL231014

COC(=O)c1cc(C(=O)Cl)cc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
GAA P10253 1/20 0.57
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
RECQL P46063 1/20 0.54
POLB P06746 2/20 0.53
MAPT P10636 3/20 0.52
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.48
AHR P35869 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
SCHEMBL30917332 1.00 SMN1; SMN2 (0.57) SMN1; SMN2HTTGAAMEN1KMT2A
SCHEMBL561284 0.91 HTT (0.64) SMN1; SMN2HTTGAAMEN1KMT2A
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.88 SMN1; SMN2 (0.60) SMN1; SMN2HTTGAAMEN1KMT2A
SCHEMBL8762477 0.86 HTT (0.59) SMN1; SMN2HTTGAAMEN1KMT2A
SCHEMBL728757 0.86 ALDH1A1 (0.66) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL38446 0.85 HTT (0.58) SMN1; SMN2HTTGAAMEN1KMT2A
SCHEMBL4731202 0.85 HTT (0.58) SMN1; SMN2HTTGAAMEN1KMT2A
SCHEMBL16960801 0.85 HTT (0.58) SMN1; SMN2HTTGAAMEN1KMT2A
SCHEMBL583563 0.85 HTT (0.58) SMN1; SMN2HTTGAAMEN1KMT2A
SCHEMBL4531505 0.84 CA1 (0.58) SMN1; SMN2HTTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108621-A Diamine compound, heat-resistant resin, resin composition, cured film, and electronic component 东友精细化工有限公司 2024-05-31 CN disclosed
CN-110028419-B Preparation method of iopromide 台州学院 2022-01-21 CN disclosed
CN-111410615-A Preparation method and application of iopromide intermediate 正大天晴药业集团股份有限公司 2020-07-14 CN disclosed
US-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
US-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
US-8470860-B2 Phenyl-sulfamates as aromatase inhibitors STERIX LIMITED (GB) 2013-06-25 US disclosed
US-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
EP-2468752-A1 Thiazolopyridine derivatives as sirtuin-modulators Sirtris Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178536-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
EP-0008154-A1 Ureylene phenylene anionic naphthalene-sulfonic acids, their use as complement system inhibitors in a body fluid and process for their preparation AMERICAN CYANAMID COMPANY (US) 1980-02-20 EP disclosed
US-4185033-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1980-01-22 US disclosed
US-4185032-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1980-01-22 US disclosed
US-4177209-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-12-04 US disclosed
US-4155931-A COMPLEMENT INHIBITORS FOR MAMMALS AMERICAN CYANAMID COMPANY (US) 1979-05-22 US disclosed
US-4129590-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 US disclosed
US-4120891-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-10-17 US disclosed
US-4052444-A DIAZO COUPLERS FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-4032567-A TRIIODOISOPHTHALIC ACID MONOAMINO ACID AMIDES, PROCESS FOR THE PREPARATION THEREOF, AND USE THEREOF AS X-RAY CONTRAST MEDIA SCHERING AKTIENGESELLSCHAFT (DT) 1977-06-28 US disclosed
US-3953501-A X-RAY CONTRAST AGENTS SCHERING AKTIENGESELLSCHAFT (DT) 1976-04-27 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 (1 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-20120197013-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 SMN1; SMN2 1572/4885HTT 234/4885GAA 1133/4885

“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.