SCHEMBL4078320

SCHEMBL4078320

CN(C)c1cc(N)c2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
KEAP1 Q14145 1/20 0.45
HPRT1 P00492 1/20 0.42
CHEK1 O14757 1/20 0.42
NEK2 P51955 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NCF1 P14598 1/20 0.40
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
RAD52 P43351 1/20 0.38
CYP1A2 P05177 2/20 0.37
PKM P14618 2/20 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
SCHEMBL4085912 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL17383659 0.78 CYP1A2 (0.57) ALDH1A1HSD17B10HPGDTSHRL3MBTL1
SCHEMBL29862170 0.78 CYP1A2 (0.57) ALDH1A1HSD17B10HPGDTSHRL3MBTL1
SCHEMBL1318533 0.76 L3MBTL1 (0.50) L3MBTL1HTTNPC1RAB9AKMT2A
SCHEMBL22538140 0.73 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDTSHRHPRT1
SCHEMBL19125914 0.73 L3MBTL1 (0.43) L3MBTL1KDM4EGPR84KMT2A
SCHEMBL4074691 0.72 CYP2A6 (0.61) ALDH1A1CYP3A4HSD17B10HPGDTSHR
SCHEMBL12278283 0.72 HPRT1 (0.56) ALDH1A1HSD17B10HPGDTSHRHPRT1
SCHEMBL30716563 0.72 ERN1 (0.44) ALDH1A1TSHRL3MBTL1KDM4ECYP1A2
SCHEMBL29487594 0.72 ALDH1A1 (0.54) ALDH1A1CYP3A4HSD17B10HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482339-B2 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2009-01-27 US disclosed
US-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative SHIONOGI AND CO., LTD. (JP) 2006-12-14 US disclosed
EP-1659117-A1 2-NAPHTHYLIMINO-1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2006-05-24 EP 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 (1 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-20060281738-A1 2-Naphthylimino-1,3-thiazine derivative NPM1, OXTR, CYP2S1 ALDH1A1 1571/4885CYP3A4 95/4885HSD17B10 1357/4885

“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.