SCHEMBL18317153

SCHEMBL18317153

O=C(NCCCCCNC(=O)NCc1ccccn1)NCc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
ALOX15 P16050 1/20 0.60
CHRM2 P08172 1/20 0.58
P2RX7 Q99572 1/20 0.58
KMT2A Q03164 5/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL18317545 1.00 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15CHRM2
SCHEMBL18317379 1.00 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15CHRM2
SCHEMBL18317155 1.00 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15CHRM2
SCHEMBL18317157 1.00 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15CHRM2
SCHEMBL18317386 1.00 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15CHRM2
SCHEMBL18317563 1.00 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15CHRM2
SCHEMBL18318217 1.00 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1ALOX15CHRM2
SCHEMBL18317195 0.98 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1ALOX15CHRM2
SCHEMBL18317201 0.95 SMN1; SMN2 (0.67) SMN1; SMN2RAB9ANPC1ALOX15P2RX7
SCHEMBL21065524 0.90 SMN1; SMN2 (0.79) SMN1; SMN2RAB9ANPC1ALOX15P2RX7

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
WO-2016209785-A1 UREA GELLANTS THE PROCTER & GAMBLE COMPANY (US) 2016-12-29 WO claimed
EP-3109233-A1 UREA GELLANTS The Procter and Gamble Company (US) 2016-12-28 EP claimed
US-20160369208-A1 UREA GELLANT THE PROCTER & GAMBLE COMPANY 2016-12-22 US claimed

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-20160369208-A1 UREA GELLANT UGP2, UGGT1, SLC14A1 SMN1; SMN2 4419/4885RAB9A 2575/4885NPC1 1374/4885

“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.