SCHEMBL2651409

SCHEMBL2651409

O=C(O)Cc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.56
AKR1B10 O60218 1/20 0.53
AKR1B1 P15121 1/20 0.53
CA2 P00918 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
CYP1A2 P05177 1/20 0.47
KDM1A O60341 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
SCHEMBL1865348 1.00 VCAM1 (0.56) VCAM1AKR1B10AKR1B1CA2ALDH1A1
SCHEMBL1857263 0.88 CA2 (0.59) VCAM1AKR1B1CA2ALDH1A1KDM4E
SCHEMBL2645028 0.85 VCAM1 (0.54) VCAM1AKR1B10AKR1B1ALDH1A1KDM4E
SCHEMBL10006096 0.84 VCAM1 (0.50) VCAM1AKR1B10AKR1B1ALDH1A1KDM4E
SCHEMBL1865824 0.84 CASP6 (0.55) AKR1B1CA2ALDH1A1KDM4EPOLB
SCHEMBL8781357 0.84 VCAM1 (0.53) VCAM1AKR1B10AKR1B1ALDH1A1KDM4E
SCHEMBL731999 0.81 MEN1 (0.56) VCAM1ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL8421389 0.81 VCAM1 (0.50) VCAM1AKR1B10AKR1B1ALDH1A1KDM4E
SCHEMBL2710180 0.81 MAPT (0.59) CA2ALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL15272523 0.81 CYP1A2 (0.71) AKR1B1CA2ALDH1A1KDM4EPOLB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4476207-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2024-12-18 EP disclosed
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
EP-4192817-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 Dana-Farber Cancer Institute, Inc. (US) 2023-06-14 EP disclosed
WO-2022035805-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 WO disclosed
EP-1666473-B1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-02 EP disclosed
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP disclosed
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 US disclosed
US-7601712-B2 Such as (1)-2-(4-chloro-3-((2-chloro-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ly)methoxy)benzoyl)amino)phenyl)-2-methylpropanoic acid; prostaglandin receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US disclosed
US-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-04 US disclosed
EP-1666473-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-07 EP disclosed
EP-1594867-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2005-11-16 EP disclosed
US-20040181067-A1 Tri(cyclo) substituted amide compounds OSI PHARMACEUTICALS, INC. 2004-09-16 US disclosed
WO-2004072031-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS PROSIDION LIMITED (GB) 2004-08-26 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 (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-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT GPR17, CYSLTR1, KIT VCAM1 94/4885AKR1B10 2751/4885AKR1B1 1186/4885
US-20040181067-A1 Tri(cyclo) substituted amide compounds GPR119, IAPP, SLC5A1 VCAM1 4207/4885AKR1B10 794/4885AKR1B1 343/4885
US-20070004716-A1 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient GPR17, CYSLTR1, KIT VCAM1 94/4885AKR1B10 2751/4885AKR1B1 1186/4885

“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.