SCHEMBL963467

SCHEMBL963467

Nc1ncc(Cc2ccccc2F)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
ABL1 P00519 1/20 0.48
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
POLB P06746 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA2A P29274 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PKM P14618 1/20 0.40
ADORA1 P30542 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL15522286 0.84 EPHX2 (0.44) EPHX2ABL1ALDH1A1L3MBTL1POLB
SCHEMBL2199654 0.84 EPHX2 (0.44) EPHX2ABL1ALDH1A1L3MBTL1POLB
SCHEMBL21384074 0.81 EPHX2 (0.46) EPHX2ALDH1A1L3MBTL1POLBHTT
SCHEMBL29442852 0.81 EPHX2 (0.46) EPHX2ALDH1A1L3MBTL1POLBHTT
SCHEMBL12510269 0.81 EPHX2 (0.46) EPHX2ALDH1A1L3MBTL1POLBHTT
SCHEMBL16061555 0.80 POLB (0.54) EPHX2ALDH1A1L3MBTL1POLBHTT
SCHEMBL2201618 0.80 POLB (0.52) EPHX2ABL1ALDH1A1L3MBTL1POLB
SCHEMBL231018 0.80 POLB (0.52) EPHX2ABL1ALDH1A1L3MBTL1POLB
SCHEMBL13779248 0.78 SIRT2 (0.48) EPHX2ALDH1A1L3MBTL1POLBHTT
SCHEMBL2203279 0.76 EPHX2 (0.45) EPHX2ALDH1A1L3MBTL1POLBHTT

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
US-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2016-02-18 US disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
WO-2014145642-A9 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-13 WO disclosed
WO-2014145642-A2 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 WO disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 US disclosed
CN-101448800-A Novel compounds as cannabinoid receptor ligands and uses thereof ABBOTT LAB (US) 2009-06-03 CN disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 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-20160046616-A1 NRF2 SMALL MOLECULE INHIBITORS FOR CANCER THERAPY NFE2L2, KEAP1, GSTK1 EPHX2 1948/4885ABL1 1848/4885ALDH1A1 1059/4885
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 EPHX2 398/4885ABL1 643/4885ALDH1A1 1171/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 EPHX2 398/4885ABL1 643/4885ALDH1A1 1171/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 EPHX2 437/4885ABL1 2791/4885ALDH1A1 81/4885

“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.