SCHEMBL12401907

SCHEMBL12401907

N=C(N)NCCc1ccc(CCCc2ccc(CCNC(=N)N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 2/20 0.51
IDO1 P14902 1/20 0.47
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NOS1 P29475 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.40
F13A1 P00488 1/20 0.40
PLAAT3 P53816 3/20 0.40
PLAAT5 Q96KN8 3/20 0.40
PLAAT2 Q9NWW9 3/20 0.40
PLAAT4 Q9UL19 3/20 0.40

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
SCHEMBL14763876 0.89 ST14 (0.46) ST14IDO1ITGB3ITGA2BSMN1; SMN2
SCHEMBL19361317 0.89 ALDH1A1 (0.49) ST14SMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL6679010 0.86 ST14 (0.50) ST14IDO1NPC1RAB9ANOS1
SCHEMBL1286912 0.86 KDM4E (0.56) ST14IDO1SMN1; SMN2CYP1A2KMT2A
SCHEMBL6682640 0.86 ST14 (0.50) ST14IDO1SMN1; SMN2KMT2ANPC1
SCHEMBL17198821 0.84 NPC1 (0.55) ST14IDO1SMN1; SMN2CYP1A2NPC1
SCHEMBL18401315 0.84 ST14 (0.49) ST14IDO1SMN1; SMN2KMT2ANPC1
SCHEMBL3916731 0.84 TAAR1 (0.52) ST14IDO1SMN1; SMN2NPC1RAB9A
SCHEMBL14012684 0.84 ST14 (0.49) ST14IDO1SMN1; SMN2CYP1A2KMT2A
SCHEMBL10310202 0.84 NPC1 (0.51) ST14IDO1SMN1; SMN2MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703825-B2 Compounds, use thereof as medicaments, and method of preparation thereof UNIVERSITE DE LORRAINE (FR) 2014-04-22 US disclosed
US-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF UNIVERSITE HENRI POINCARE NANCY 1 (FR) 2011-07-28 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 (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-20110184070-A1 NOVEL COMPOUNDS, USE THEREOF AS MEDICAMENTS, AND METHOD OF PREPARATION THEREOF CYP11B2, NPM1, B2M ST14 4327/4885IDO1 996/4885ITGB3 1438/4885

“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.