SCHEMBL21536795

SCHEMBL21536795

Cc1nc2cc(OC(F)(F)F)ccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HSD17B10 Q99714 3/20 0.51
TP53 P04637 2/20 0.51
PKM P14618 2/20 0.51
GAA P10253 2/20 0.51
SCN4A P35499 2/20 0.51
SCN9A Q15858 2/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
SLC6A2 P23975 1/20 0.51

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
SCHEMBL2665688 0.87 NPC1 (0.68) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL14806544 0.85 PDE10A (0.49) POLBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL31132377 0.81 RAB9A (0.77) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL9184354 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL3463902 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL480862 0.81 RAB9A (0.77) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL2749069 0.81 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL31276816 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL95067 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HSD17B10TP53
SCHEMBL1133234 0.79 POLB (0.62) POLBNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10463661-B2 Anthelmintic compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-11-05 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-10463661-B2 Anthelmintic compounds HRH4, QTRT1, Q6ZSR9 POLB 3477/4885NPC1 2700/4885RAB9A 1624/4885

“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.