SCHEMBL1561998

SCHEMBL1561998

Cc1ccc2c(C)ccc([N+](=O)[O-])c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.60
CYP3A4 P08684 2/20 0.60
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.42
CTSB P07858 1/20 0.41
CTSH P09668 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
GPR35 Q9HC97 1/20 0.41
KAT2B Q92831 1/20 0.41
MITF O75030 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 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
SCHEMBL31032881 0.79 CTSB (0.61) TSHRCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL98882 0.79 TDP1 (0.61) TSHRCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL171914 0.78 TSHR (0.72) TSHRCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL29613904 0.78 TSHR (0.72) TSHRCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL557939 0.78 TSHR (0.72) TSHRCYP3A4KMT2ASMN1; SMN2ALDH1A1
SCHEMBL294724 0.76 TSHR (1.00) TSHRCYP3A4ALDH1A1RECQLMAPT
SCHEMBL4888023 0.75 CYP1A2 (0.52) TSHRCYP3A4SMN1; SMN2ALDH1A1MAPT
SCHEMBL29845621 0.75 CYP1A2 (0.52) TSHRCYP3A4SMN1; SMN2ALDH1A1MAPT
SCHEMBL7835612 0.73 ALDH1A1 (0.61) TSHRCYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL7836832 0.73 ALDH1A1 (0.61) TSHRCYP3A4MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2353593-B1 Non-nucleoside reverse transcriptase inhibitors ARDEA BIOSCIENCES INC (US) 2012-08-22 EP disclosed
EP-2353593-A1 Non-nucleoside reverse transcriptase inhibitors Ardea Biosciences, Inc. (US) 2011-08-10 EP disclosed
EP-1545483-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2011-04-06 EP disclosed
EP-1545483-A4 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2009-03-25 EP disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 US disclosed
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors INTRABIOTICS PHARMACEUTICALS, INC. 2006-06-22 US disclosed
EP-1545483-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Ribapharm Inc. (US) 2005-06-29 EP disclosed
WO-2004030611-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RIBAPHARM INC. (US) 2004-04-15 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 (2 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-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, TYMP, RNGTT TSHR 4363/4885CYP3A4 1053/4885MEN1 4820/4885
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors POLRMT, TYMP, RNGTT TSHR 4363/4885CYP3A4 1053/4885MEN1 4820/4885

“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.