SCHEMBL674382

SCHEMBL674382

NC(=O)OBOc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CTNNB1 P35222 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
ALOX15 P16050 2/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL28143256 0.83 CTNNB1 (0.42) PARP10KMT2ACTNNB1TDP1L3MBTL1
SCHEMBL29102453 0.81 PARP10 (0.38) PARP10MEN1KMT2ACTNNB1TDP1
SCHEMBL23327088 0.79 ELANE (0.41) TDP1L3MBTL1TSHRHSD17B10CYP3A4
SCHEMBL28790608 0.79 AOC2 (0.39) PARP10CTNNB1TDP1L3MBTL1ALOX15
SCHEMBL28591821 0.76 KMT2A (0.41) KMT2AL3MBTL1TSHRHSD17B10MAPT
SCHEMBL27700260 0.75 ELANE (0.45) KMT2ATDP1L3MBTL1TSHRCYP2C19
SCHEMBL8885 0.74 LTA4H (0.50) TDP1L3MBTL1TSHRRECQLALOX15
SCHEMBL29102439 0.72 PARP10 (0.37) PARP10MEN1KMT2ACTNNB1TDP1
Hydrochloric Acid SCHEMBL693111 0.71 LTA4H (0.47) MEN1KMT2ATDP1L3MBTL1TSHR
Carbamic Acid Phenyl Ester SCHEMBL7566 0.70 MEN1 (0.70) PARP10MEN1KMT2ACTNNB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606052-B1 NICOTINIC RECEPTOR COMPOUNDS RES TRIANGLE INST (US) 2016-06-01 EP disclosed
US-9284322-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2016-03-15 US disclosed
US-20150307502-A9 NICOTINIC RECEPTOR COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-29 US disclosed
US-9150581-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2015-10-06 US disclosed
US-20150152119-A1 NICOTINIC RECEPTOR COMPOUNDS RES TRIANGLE INST (US) 2015-06-04 US disclosed
US-8981102-B2 Nicotinic receptor compounds RESEARCH TRIANGLE INSTITUTE (US) 2015-03-17 US disclosed
US-20140357674-A1 NICOTINIC RECEPTOR COMPOUNDS RES TRIANGLE INST (US) 2014-12-04 US disclosed
WO-2013101802-A1 NICOTINIC RECEPTOR COMPOUNDS RESEARCH TRIANGLE INSTITUTE (US) 2013-07-04 WO disclosed
EP-2606052-A1 NICOTINIC RECEPTOR COMPOUNDS Research Triangle Institute (US) 2013-06-26 EP disclosed
US-20130150373-A1 NICOTINIC RECEPTOR COMPOUNDS RESEARCH TRIANGLE INSTITUTE (US) 2013-06-13 US disclosed
WO-2012024615-A1 NICOTINIC RECEPTOR COMPOUNDS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-23 WO disclosed
CN-101675051-A Pyrazolopyrimidine analogs and their use as mtor kinase and pi3 kinase inhibitors WYETH CORP 2010-03-17 CN 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-20130150373-A1 NICOTINIC RECEPTOR COMPOUNDS CHRNG, CHRNA7, CHRNA2 PARP10 2475/4885MEN1 3946/4885KMT2A 3824/4885
US-20150307502-A9 NICOTINIC RECEPTOR COMPOUNDS CHRNB4, CHRNA4, CHRNB2 PARP10 4395/4885MEN1 4521/4885KMT2A 1465/4885
US-20140357674-A1 NICOTINIC RECEPTOR COMPOUNDS CHRNB4, CHRNA4, CHRNB2 PARP10 4395/4885MEN1 4521/4885KMT2A 1465/4885
US-20150152119-A1 NICOTINIC RECEPTOR COMPOUNDS CHRNG, CHRNA7, CHRNA2 PARP10 2475/4885MEN1 3946/4885KMT2A 3824/4885

“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.