SCHEMBL13740907

SCHEMBL13740907

CC(C)(C)OC(=O)NCCn1cc([N+](=O)[O-])cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 5/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
BRD4 O60885 1/20 0.41
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL16264881 0.93 ALDH1A1 (0.48) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL29265242 0.91 ALDH1A1 (0.47) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL21070679 0.89 ALDH1A1 (0.40) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL21070435 0.89 ALDH1A1 (0.40) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL21069602 0.89 ALDH1A1 (0.40) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL16423699 0.82 ALDH1A1 (0.50) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL23120697 0.81 ALDH1A1 (0.50) ALDH1A1KMT2ARXFP1L3MBTL1HTT
SCHEMBL13975444 0.81 LMNA (0.47) ALDH1A1KMT2AHTTLMNAMAPT
SCHEMBL27322426 0.81 EGFR (0.48) ALDH1A1BRD4
SCHEMBL19268475 0.81 LMNA (0.53) ALDH1A1KMT2AHTTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2018-04-05 US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-9809577-B2 Biaryl inhibitors of Bruton's tyrosine kinase BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 US disclosed
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2016-10-27 US disclosed
EP-2697233-B1 MACROCYCLIC TRIAZINE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-2697233-B1 MACROCYCLIC TRIAZINE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-8933066-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-13 US disclosed
US-8933066-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-13 US disclosed
EP-2697233-A1 MACROCYCLIC TRIAZINE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2014-02-19 EP disclosed
US-20130095066-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
US-20130095066-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
WO-2012154353-A1 MACROCYCLIC TRIAZINE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-15 WO disclosed
WO-2012154353-A1 MACROCYCLIC TRIAZINE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-15 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-20130095066-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS ALDH1A1 253/4885KMT2A 4752/4885RXFP1 4297/4885
US-20180093973-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ALDH1A1 4265/4885KMT2A 1470/4885RXFP1 4797/4885
US-20160311802-A1 BIARYL INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ALDH1A1 4265/4885KMT2A 1470/4885RXFP1 4797/4885

“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.