SCHEMBL677718

SCHEMBL677718

CC(C)(C)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
CHRNB2 P17787 1/20 0.53
CHRNA4 P43681 1/20 0.53
ACHE P22303 1/20 0.52
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
F2 P00734 1/20 0.47
PTPRC P08575 1/20 0.46
HSP90AA1 P07900 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
NFE2L2 Q16236 1/20 0.45
CYP19A1 P11511 1/20 0.45

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
SCHEMBL7146151 0.88 CHRNB2 (0.55) TSHRLMNACHRNB2CHRNA4ACHE
SCHEMBL27632004 0.86 TSHR (0.52) TSHRLMNACHRNB2CHRNA4ACHE
SCHEMBL15228420 0.86 TSHR (0.52) TSHRLMNACHRNB2CHRNA4ACHE
SCHEMBL27842046 0.86 TSHR (0.52) TSHRLMNACHRNB2CHRNA4ACHE
SCHEMBL9162898 0.83 TSHR (0.48) TSHRLMNACHRNB2CHRNA4ACHE
SCHEMBL19387684 0.83 CHRNB2 (0.51) TSHRLMNACHRNB2CHRNA4ACHE
SCHEMBL14931865 0.82 PPARA (0.49) TSHRLMNACHRNB2CHRNA4ACHE
SCHEMBL7111679 0.82 MEN1 (0.48) TSHRLMNACHRNB2CHRNA4ACHE
SCHEMBL1130974 0.82 KMT2A (0.58) TSHRLMNACHRNB2CHRNA4ACHE
SCHEMBL29469269 0.82 KMT2A (0.58) TSHRLMNACHRNB2CHRNA4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020207570-A1 PHENAZINES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS 2 (DDR2) ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO disclosed
WO-2020207611-A1 PHENAZINES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS 2 (DDR2) ROTTAPHARM BIOTECH S.R.L. (IT) 2020-10-15 WO disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 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 (4 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-20140336254-A1 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB TSHR 1016/4885LMNA 1184/4885CHRNB2 3553/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB TSHR 1016/4885LMNA 1184/4885CHRNB2 3553/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB TSHR 1016/4885LMNA 1184/4885CHRNB2 3553/4885
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 TSHR 3483/4885LMNA 1863/4885CHRNB2 1602/4885

“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.