SCHEMBL16020168

SCHEMBL16020168

COc1ccc(CNc2ncns2)c(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALOX12 P18054 1/20 0.39
TSHR P16473 6/20 0.38
LMNA P02545 5/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
SCN9A Q15858 3/20 0.37
CYP1A2 P05177 6/20 0.37
CYP3A4 P08684 6/20 0.37
CYP2D6 P10635 6/20 0.37
CYP2C19 P33261 6/20 0.37
CLK4 Q9HAZ1 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 3/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL15031637 0.84 TSHR (0.41) L3MBTL1TSHRLMNAHTTHPGD
SCHEMBL319454 0.84 APLNR (0.55) TSHRLMNAHTTHPGDSMN1; SMN2
SCHEMBL29736330 0.84 APLNR (0.55) TSHRLMNAHTTHPGDSMN1; SMN2
SCHEMBL15012022 0.76 NPC1 (0.48) L3MBTL1LMNAHTTCLK4GAA
SCHEMBL15031507 0.74 TSHR (0.45) L3MBTL1TSHRLMNAHTTHPGD
SCHEMBL2061056 0.72 KDM4E (0.50) ALDH1A1HSD17B10KDM4EAPLNRCA1
SCHEMBL13221006 0.67 HSD17B10 (0.47) ALDH1A1HSD17B10KDM4EAPLNR
SCHEMBL15033467 0.65 SCN1A (0.37) SMN1; SMN2SCN9A
SCHEMBL16952197 0.65 KDM4E (0.44) ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL8068252 0.65 ADRA1A (0.47) SMN1; SMN2ALDH1A1HSD17B10KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346798-B2 Dihydrobenzoxazine and tetrahydroquinoxaline sodium channel inhibitors AMGEN INC. (US) 2016-05-24 US disclosed
US-9079902-B2 Heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-07-14 US disclosed
US-20150057271-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS AMGEN INC. 2015-02-26 US disclosed
US-20140256707-A1 Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2014-09-11 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 (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-20150057271-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS SCN5A, KCNH1, KCNQ5 L3MBTL1 4213/4885ALOX12 813/4885TSHR 4670/4885
US-20140256707-A1 Heteroaryl Sodium Channel Inhibitors SCN1A, SCN5A, SCN1B L3MBTL1 3701/4885ALOX12 1916/4885TSHR 4286/4885

“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.