SCHEMBL1937600

SCHEMBL1937600

CC(=O)c1ccc([N+](=O)[O-])s1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
HTT P42858 5/20 0.54
MAPT P10636 6/20 0.51
KMT2A Q03164 5/20 0.51
TP53 P04637 1/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 4/20 0.50
ALDH1A1 P00352 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MITF O75030 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL218867 0.82 SMN1; SMN2 (0.53) LMNASMN1; SMN2HTTMAPTKMT2A
SCHEMBL23529356 0.80 SMN1; SMN2 (0.53) LMNASMN1; SMN2HTTMAPTKMT2A
SCHEMBL6736049 0.80 SMN1; SMN2 (0.51) LMNASMN1; SMN2HTTMAPTKMT2A
SCHEMBL2118284 0.80 ATM (0.55) LMNASMN1; SMN2HTTMAPTKMT2A
Hydrochloric Acid SCHEMBL7036575 0.80 SMN1; SMN2 (0.51) LMNASMN1; SMN2HTTMAPTKMT2A
SCHEMBL9557865 0.79 ATM (0.48) LMNASMN1; SMN2HTTMAPTKMT2A
SCHEMBL3268354 0.79 SMN1; SMN2 (0.61) LMNASMN1; SMN2HTTMAPTKMT2A
SCHEMBL26054320 0.79 ATM (0.58) LMNASMN1; SMN2HTTMAPTKMT2A
SCHEMBL1483376 0.79 ALDH1A1 (0.55) LMNASMN1; SMN2HTTMAPTKMT2A
SCHEMBL27938343 0.79 SMN1; SMN2 (0.54) LMNASMN1; SMN2HTTMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
EP-0245835-B1 NOVEL THIOPHENE DERIVATIVES AND METHODS FOR PRODUCING THE SAME SEITETSU KAGAKU CO., LTD. (JP) 1993-05-05 EP claimed
JP-8092239-A None JP disclosed
CN-114874143-A Regulator containing pyrazole derivatives, preparation method and application thereof 上海翰森生物医药科技有限公司 2022-08-09 CN disclosed
WO-2016150937-A1 METHOD FOR PREPARATION OF THIOPHENECARBONYL CHLORIDES LONZA LTD (CH) 2016-09-29 WO disclosed
US-8530646-B2 Oxazolidinone derivative having 7-membered hetero ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2013-09-10 US disclosed
US-20110237612-A1 Thienylamino pyrimidines for use as Fungicides BAYERCROPSCIENCE AG (DE) 2011-09-29 US disclosed
EP-2331532-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025851-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
US-20080219922-A1 Alzheimer's Disease Imaging Agents EMORY UNIVERSITY 2008-09-11 US disclosed
WO-2007033080-A2 ALZHEIMER'S DISEASE IMAGING AGENTS EMORY UNIVERSITY (US) 2007-03-22 WO disclosed
US-5101049-A Novel thiophene derivatives and methods for producing the same SEITETSU KAGAKU CO., LTD. (JP) 1992-03-31 US disclosed
EP-0163854-B1 PROCESS FOR THE ELIMINATION OF FLUORESCENCE AND CATIONIC OR AMPHOTERIC AROMATIC NITRO COMPOUNDS BAYER AG (DE) 1991-02-27 EP disclosed
US-4792612-A MEDICINE INTERMEDIATES SEITETSU KAGAKU CO., LTD. (JP) 1988-12-20 US disclosed
EP-0172031-B1 NOVEL SULFENYLATED ACYLHYDRAZONES, COMPOSITIONS CONTAINING THEM, METHODS OF MAKING THEM AND THEIR USE ROHM AND HAAS COMPANY (US) 1988-05-18 EP disclosed
EP-0245835-A2 Novel thiophene derivatives and methods for producing the same SEITETSU KAGAKU CO., LTD. (JP) 1987-11-19 EP disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
CN-86105836-A Hydrocarbylthionatedacylhydrazone acylhydrazone 1987-03-04 CN disclosed
EP-0172031-A1 Novel sulfenylated acylhydrazones, compositions containing them, methods of making them and their use ROHM AND HAAS COMPANY (US) 1986-02-19 EP disclosed
EP-0163854-A2 Process for the elimination of fluorescence and cationic or amphoteric aromatic nitro compounds BAYER AG (DE) 1985-12-11 EP 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-20110237612-A1 Thienylamino pyrimidines for use as Fungicides TYMP, TYMS, TPMT LMNA 4132/4885SMN1; SMN2 3041/4885HTT 1254/4885
US-20080219922-A1 Alzheimer's Disease Imaging Agents APP, PSEN1, MAPT LMNA 2871/4885SMN1; SMN2 1690/4885HTT 11/4885

“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.