SCHEMBL537580

SCHEMBL537580

O=Cc1cc([N+](=O)[O-])c(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.55
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
ERN1 O75460 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL9789906 0.92 VCAM1 (0.55) VCAM1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL5583374 0.84 VCAM1 (0.55) VCAM1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL4647602 0.83 VCAM1 (0.46) VCAM1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2000779 0.83 ALDH1A1 (0.54) VCAM1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL29952954 0.83 ALDH1A1 (0.54) VCAM1ALDH1A1CYP3A4TSHRKDM4E
SCHEMBL25145164 0.83 VCAM1 (0.50) VCAM1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL16396324 0.83 VCAM1 (0.50) VCAM1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL11046388 0.83 VCAM1 (0.46) VCAM1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL20783115 0.83 ALDH1A1 (0.59) VCAM1ALDH1A1CYP3A4TSHRMAPK1
Water SCHEMBL28761064 0.82 VCAM1 (0.49) VCAM1ALDH1A1CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229216-A Preparation method of entecavir intermediate 重庆博腾制药科技股份有限公司 2023-12-15 CN claimed
CN-117003642-A Synthesis method of Ensitrelvir key intermediate 上海璨谊生物科技有限公司 2023-11-07 CN claimed
CN-115677587-B Method for preparing 6-chloro-5-nitro-1-hydro-indazole 爱斯特(成都)生物制药股份有限公司 2024-09-10 CN disclosed
CN-117229216-A Preparation method of entecavir intermediate 重庆博腾制药科技股份有限公司 2023-12-15 CN disclosed
CN-117003642-A Synthesis method of Ensitrelvir key intermediate 上海璨谊生物科技有限公司 2023-11-07 CN disclosed
CN-115677587-A Method for preparing 6-chloro-5-nitro-1-hydro-indazole 爱斯特(成都)生物制药股份有限公司 2023-02-03 CN disclosed
EP-3091014-A1 FLUORESCENT CELLULAR MARKERS Zayas, Beatriz (US) 2016-11-09 EP disclosed
US-8124770-B2 Fluorescent cellular markers NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-02-28 US disclosed
EP-2414355-A2 FLUORESCENT CELLULAR MARKERS Zayas, Beatriz (US) 2012-02-08 EP disclosed
WO-2010135751-A2 FLUORESCENT CELLULAR MARKERS BEATRIZ ZAYAS BEATRIZ (US) 2010-11-25 WO disclosed
US-20100256378-A1 FLUORESCENT CELLULAR MARKERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 US disclosed
EP-0879239-B1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AG (DE) 2003-04-23 EP disclosed
EP-1136492-A1 SULFONAMIDE COMPOUNDS AND USES THEREOF AS MEDICINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-26 EP disclosed
US-6175007-B1 HERBICIDES AND DEFOLIANTS BASF AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed
EP-0879239-A1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-11-25 EP disclosed
WO-1997030060-A1 SUBSTITUTED AROMATIC PHOSPHONIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-08-21 WO disclosed
US-4456772-A Process for the preparation of optionally substituted fluoro-nitro-benzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed
EP-0061113-B1 METHOD FOR THE PREPARATION OF OPTIONALLY SUBSTITUTED FLUORONITROBENZALDEHYDES BAYER AG (DE) 1984-06-06 EP disclosed
EP-0061113-A1 Method for the preparation of optionally substituted fluoronitrobenzaldehydes BAYER AG (DE) 1982-09-29 EP disclosed
US-4036838-A Process for the production of nitro derivatives of aromatic compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-07-19 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-20100256378-A1 FLUORESCENT CELLULAR MARKERS AIFM1, CASP3, BAX VCAM1 2329/4885ALDH1A1 3502/4885CYP3A4 3222/4885

“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.