SCHEMBL17149349

SCHEMBL17149349

Cc1ccc(Cn2cnc3cc(Br)ccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 6/20 0.64
▸ CYP11B2 P19099 6/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ HTT P42858 3/20 0.64
▸ LMNA P02545 2/20 0.64
▸ KCNH2 Q12809 1/20 0.54
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ BRD4 O60885 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MET P08581 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TNF P01375 2/20 0.46
▸ NR1I2 O75469 1/20 0.46

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
SCHEMBL13559830 0.88 CYP11B1 (0.71) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL15206007 0.85 CYP11B1 (0.66) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL23123295 0.85 QPCT (0.58) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL17152743 0.82 QPCT (0.58) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL13187037 0.81 KCNH2 (0.71) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL28321010 0.81 KCNH2 (0.76) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL28322091 0.80 KCNH2 (0.80) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL15345067 0.79 CYP11B1 (0.68) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL22862709 0.79 BRD4 (0.45) CYP11B1CYP11B2SMN1; SMN2HTTLMNA
SCHEMBL29490198 0.79 BRD4 (0.45) CYP11B1CYP11B2SMN1; SMN2HTTLMNA

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.

Send feedback