SCHEMBL3522985

SCHEMBL3522985

CC(C)(C)c1cc([N+](=O)[O-])ccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GALR3 O60755 1/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 7/20 0.48
LMNA P02545 6/20 0.48
GAA P10253 3/20 0.45
RECQL P46063 1/20 0.43
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.41
AR P10275 2/20 0.41
XDH P47989 1/20 0.41

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
SCHEMBL397890 0.87 VCAM1 (0.58) VCAM1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL2853583 0.83 VCAM1 (0.54) VCAM1ALDH1A1LMNAAR
SCHEMBL18856839 0.82 AR (0.37) VCAM1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL15320658 0.81 VCAM1 (0.51) VCAM1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11654599 0.78 SMN1; SMN2 (0.60) SMN1; SMN2MEN1KMT2AL3MBTL1GALR3
SCHEMBL73860 0.78 VCAM1 (0.70) VCAM1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12825156 0.78 XDH (0.60) VCAM1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL1232789 0.77 ALDH1A1 (0.60) VCAM1SMN1; SMN2MEN1KMT2AALDH1A1
Fluoride SCHEMBL28259583 0.77 VCAM1 (0.68) VCAM1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10966857 0.77 VCAM1 (0.54) VCAM1SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY 2024-09-26 US disclosed
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof InventisBio Co., Ltd. (CN) 2023-07-04 US disclosed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2870143-B1 TRIAZOLE COMPOUNDS AS ANTIVIRALS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
US-20150307461-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-10-29 US disclosed
EP-2870143-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. Hoffmann-La Roche AG (CH) 2015-05-13 EP disclosed
EP-2061767-B1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, processes for preparing them, medicaments comprising these compounds, and their use SANOFI SA (FR) 2014-12-17 EP disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
US-20140010783-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2014-01-09 US disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 WO disclosed
WO-2014006066-A1 TRIAZOLE COMPOUNDS AS ANTIVIRALS F. HOFFMANN-LA ROCHE AG (CH) 2014-01-09 WO disclosed
US-7759366-B2 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use SANOFI-AVENTIS (FR) 2010-07-20 US disclosed
US-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
CN-101501005-A Arylaminoaryl-alkyl-substituted imidazolidine-2, 4-diones, processes for their preparation, medicaments comprising these compounds and their use SANOFI AVENTIS (FR) 2009-08-05 CN disclosed
EP-2061767-A1 ARYLAMINOARYL-ALKYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, PROCESSES FOR PREPARING THEM, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THEIR USE Sanofi-Aventis (FR) 2009-05-27 EP disclosed
WO-2008017381-A1 ARYLAMINOARYL-ALKYL-SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, PROCESSES FOR PREPARING THEM, MEDICAMENTS COMPRISING THESE COMPOUNDS, AND THEIR USE SANOFI-AVENTIS (FR) 2008-02-14 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 (6 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-20090215728-A1 Arylaminoaryl-alkyl-substituted imidazolidine-2,4-diones, process for preparing them, medicaments comprising these compounds, and their use GPR119, GIPR, LIPC VCAM1 3582/4885SMN1; SMN2 4150/4885MEN1 3627/4885
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF TGFB1, TGFB2, TGFBR1 VCAM1 1460/4885SMN1; SMN2 4786/4885MEN1 264/4885
US-20150307461-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS VCAM1 1360/4885SMN1; SMN2 2853/4885MEN1 4686/4885
US-20140010783-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS VCAM1 1360/4885SMN1; SMN2 2853/4885MEN1 4686/4885
US-20240317727-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER HSF1, HSP90AB1, HSP90AA1 VCAM1 1401/4885SMN1; SMN2 2520/4885MEN1 4220/4885
US-11691981-B2 Heterocyclic compounds, preparation methods therefor, and methods of uses thereof TGFB1, TGFB2, TGFBR1 VCAM1 1460/4885SMN1; SMN2 4786/4885MEN1 264/4885

“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.