SCHEMBL6793986

SCHEMBL6793986

NC(=S)c1cccc2cccc(N)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
RPS6KA3 P51812 1/20 0.40
MELK Q14680 1/20 0.40
STK24 Q9Y6E0 1/20 0.40
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLK1 P06870 1/20 0.39
PRSS1 P07477 1/20 0.39
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
KEAP1 Q14145 1/20 0.37
MMP2 P08253 1/20 0.35
PARP1 P09874 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL6782374 0.79 KDM4E (0.48) JAK2RPS6KA3MELKSTK24ALDH1A1
Isothiocyanate SCHEMBL38660131 0.76 KDM4E (0.42) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL30085683 0.76 CD44 (0.41) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL29549299 0.75 HSD17B10 (0.64) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL689822 0.75 HSD17B10 (0.64) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL31253333 0.75 MAPT (0.46) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL165079 0.75 MAPT (0.46) ALDH1A1HSD17B10CYP3A4HPGDTSHR
SCHEMBL29349435 0.74 JAK2 (0.54) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL65699 0.74 JAK2 (0.54) JAK2RPS6KA3MELKSTK24ALDH1A1
SCHEMBL25248681 0.73 JAK2 (0.39) JAK2RPS6KA3MELKSTK24F2

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
WO-2002032856-A9 INSECTICIDAL 1,8-NAPHTHALENEDICARBOXAMIDES DU PONT (US) 2004-04-08 WO disclosed
US-20040053786-A1 Insecticidal 1,8-naphthalenedicarboxamides E.I. DU PONT DE NEMOURS AND COMPANY 2004-03-18 US disclosed
EP-1326827-A2 INSECTICIDAL 1,8-NAPHTHALENEDICARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2003-07-16 EP disclosed
WO-2002032856-A2 INSECTICIDAL 1,8-NAPHTHALENEDICARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-04-25 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 (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-20040053786-A1 Insecticidal 1,8-naphthalenedicarboxamides DDT, NIT2, ACHE JAK2 4633/4885RPS6KA3 2700/4885MELK 4498/4885

“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.