SCHEMBL683860

SCHEMBL683860

CC(=O)Oc1cccn2nc(C)c(C(C)=O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
TSHR P16473 1/20 0.37
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
BLM P54132 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 1/20 0.37
SLC22A6 Q4U2R8 1/20 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
SCHEMBL682711 0.87 GAA (0.40) ALDH1A1RAB9ANPC1HSD17B10MAPK1
SCHEMBL7373297 0.80 POLB (0.39) ALDH1A1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL683558 0.79 THRB (0.44) ALDH1A1RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL2961663 0.69 TP53 (0.37) ALDH1A1SMN1; SMN2HSD17B10KDM4EPOLB
SCHEMBL5848990 0.69 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL11386633 0.69 KDM4E (0.53) ALDH1A1RAB9AHSD17B10KDM4EHPGD
SCHEMBL3265389 0.67 POLB (0.44) RAB9AKDM4EHPGDTDP1MAPT
SCHEMBL17867572 0.67 NTRK1 (0.39) ALDH1A1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL11657180 0.67 PDE4B (0.49) ALDH1A1RAB9ANPC1KDM4ETSHR
SCHEMBL684212 0.67 POLB (0.48) ALDH1A1RAB9ANPC1SMN1; SMN2HSD17B10

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ALDH1A1 1565/4885RAB9A 2603/4885NPC1 2460/4885

“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.