SCHEMBL17754091

SCHEMBL17754091

CCc1ccc(-c2ncnn2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.39
TDP2 O95551 2/20 0.38
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.36
CACNA2D1 P54289 1/20 0.36
TP53 P04637 1/20 0.36
METAP2 P50579 1/20 0.36
HSD11B1 P28845 2/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL23571714 0.86 HSD11B1 (0.44) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL8997484 0.84 HRH3 (0.45) CYP1A2CYP2C9HTR2C
SCHEMBL8997487 0.81 HRH3 (0.52) ALDH1A1
SCHEMBL18648152 0.80 EGLN2 (0.44) PDE2ASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL22130302 0.77 ALDH1A1 (0.42) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL24185639 0.77 NPC1 (0.39) PDE2ASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL822672 0.76 NR1H2 (0.47) NPC1MAPTRAB9AKDM4EALDH1A1
SCHEMBL17752219 0.74 ALDH1A1 (0.46) SMN1; SMN2NPC1MAPTRAB9AKDM4E
SCHEMBL8997488 0.71 TDP1 (0.49) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL10227692 0.70 HDAC4 (0.42) TDP2CYP1A2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137653-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2016-05-19 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-20160137653-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT PDE2A 900/4885TDP2 1679/4885CYP1A2 447/4885

“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.