SCHEMBL13106915

SCHEMBL13106915

Cc1nn(C)c2ccc(NCc3ccc(F)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
PTK2 Q05397 1/20 0.43
GRM4 Q14833 1/20 0.43
HTR2C P28335 1/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
PDE2A O00408 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42

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
SCHEMBL13106912 0.79 MCHR1 (0.47) NPC1RAB9AKDM4EHSD17B10SMN1; SMN2
SCHEMBL14077560 0.78 RAB9A (0.55) NPC1RAB9AKDM4EHSD17B10SMN1; SMN2
SCHEMBL13106170 0.76 ADORA2A (0.59) KDM4EHSD17B10ALDH1A1GRM4HPGD
SCHEMBL13106926 0.76 RAB9A (0.56) NPC1RAB9AKDM4EHSD17B10SMN1; SMN2
SCHEMBL13106519 0.76 TRPM5 (0.57) NPC1RAB9AKDM4EHSD17B10SMN1; SMN2
SCHEMBL13106992 0.75 QPCT (0.54) SMN1; SMN2LMNAQPCTADORA2AADORA2B
SCHEMBL21628158 0.74 PI4KB (0.59) RAB9AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL13106101 0.74 PTK2 (0.54) NPC1RAB9AKDM4EALDH1A1GAA
SCHEMBL13106922 0.73 NPC1 (0.43) NPC1RAB9ASMN1; SMN2GAAGRM4
SCHEMBL13122412 0.73 LRRK2 (0.53) LMNA

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-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US disclosed
US-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 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-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 NPC1 47/4885RAB9A 2353/4885KDM4E 4335/4885

“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.