SCHEMBL13106985

SCHEMBL13106985

CCc1c2cc(NCc3ccc(Cl)cc3)c(F)cc2nn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HRH4 Q9H3N8 2/20 0.38
MAPK1 P28482 2/20 0.38
BRD4 O60885 1/20 0.38
KAT2B Q92831 1/20 0.38
GFER P55789 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM4 P08173 1/20 0.38
KMT2A Q03164 2/20 0.38
PDE2A O00408 1/20 0.37
MEN1 O00255 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
EGFR P00533 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
SCHEMBL13106947 0.86 CHRM4 (0.43) TP53TRPM5NPC1RAB9ASMN1; SMN2
SCHEMBL13106958 0.80 RAB9A (0.54) TP53NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13106965 0.80 RAB9A (0.51) TP53NPC1RAB9ASMN1; SMN2GFER
SCHEMBL13106989 0.79 TRPM5 (0.39) TP53TRPM5NPC1RAB9ASMN1; SMN2
SCHEMBL13106974 0.77 RAB9A (0.40) TP53NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13106945 0.76 ADORA2A (0.42) TP53TRPM5NPC1RAB9ASMN1; SMN2
SCHEMBL13106391 0.74 BRD9 (0.40) MAPTCHRM4FABP4
SCHEMBL13106991 0.71 RAB9A (0.42) TP53NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL13122180 0.71 MAP2K4 (0.40) RAB9ASMN1; SMN2MAPK1BRD4KMT2A
SCHEMBL13106417 0.71 CHRM4 (0.42) HRH4MAPK1MAPTHTTL3MBTL1

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 TP53 1421/4885TRPM5 3902/4885NPC1 47/4885

“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.