SCHEMBL2531467

SCHEMBL2531467

O=C(CN1CCCCCC1)N1Cc2ncnc(Nc3cnc4ccccc4c3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
FAAH O00519 8/20 0.45
TRPV1 Q8NER1 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HDAC1 Q13547 1/20 0.40
LCK P06239 1/20 0.40
BTK Q06187 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
JAK3 P52333 1/20 0.40
EGFR P00533 2/20 0.39
INSR P06213 1/20 0.39
IGF1R P08069 1/20 0.39

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
SCHEMBL2535931 1.00 KDM4E (0.48) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL2457135 0.99 KDM4E (0.47) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL2463733 0.86 FAAH (0.45) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL3346283 0.83 FAAH (0.46) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL2455004 0.80 NPC1 (0.53) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL2455001 0.80 LCK (0.51) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL2455326 0.80 FAAH (0.49) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL2457032 0.78 TNF (0.41) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL2455439 0.78 MKNK1 (0.51) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL2457305 0.76 FAAH (0.48) HSD17B10RAB9AFAAHTRPV1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US claimed
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US disclosed
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US disclosed
US-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. 2011-10-20 US disclosed
WO-2010059610-A1 6, 7 -DIHYDRO- 5H- PYRROLO [3, 4-D] PYRIMIDIN-4-YL] -QUINOLIN-3 -YLAMINE COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2010-05-27 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-20110257208-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF FAAH, FAAH2, CNR2 KDM4E 3669/4885NPC1 2479/4885SMN1; SMN2 1690/4885

“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.