SCHEMBL17149348

SCHEMBL17149348

Cc1ccc(Cn2cnc3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.53
CYP11B2 P19099 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 3/20 0.53
LMNA P02545 2/20 0.53
KCNH2 Q12809 1/20 0.45
BRD4 O60885 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1I2 O75469 3/20 0.40
MAPK1 P28482 1/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
TNF P01375 1/20 0.39
EP300 Q09472 1/20 0.39

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
SCHEMBL15205399 0.89 CYP11B1 (0.52) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL17136919 0.86 QPCT (0.50) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL14251023 0.82 NPC1 (0.43) SMN1; SMN2HTTLMNAALDH1A1KDM4E
SCHEMBL3497335 0.81 CYP11B1 (0.60) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL15333687 0.80 CYP11B1 (0.52) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL29520169 0.79 MAPT (0.40) SMN1; SMN2LMNAKDM4ENPC1MAPT
SCHEMBL17149327 0.79 FGFR1 (0.51) SMN1; SMN2HTTLMNAALDH1A1KDM4E
SCHEMBL13559830 0.79 CYP11B1 (0.71) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL15205440 0.79 CDK9 (0.40) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL25431036 0.78 FFAR1 (0.38) SMN1; SMN2KDM4ENPC1MAPTRAB9A

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-11834447-B2 Indole derivatives and use thereof PURDUE PHARMA L.P. (US) 2023-12-05 US disclosed
US-20150284383-A1 INDOLE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2015-10-08 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 (2 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-11834447-B2 Indole derivatives and use thereof TRPC4, TRPV4, TRPV1 CYP11B1 1428/4885CYP11B2 1514/4885SMN1; SMN2 780/4885
US-20150284383-A1 INDOLE DERIVATIVES AND USE THEREOF TRPC4, TRPV4, TRPV1 CYP11B1 1428/4885CYP11B2 1514/4885SMN1; SMN2 780/4885

“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.