SCHEMBL3853659

SCHEMBL3853659

Cc1c(-c2ccccc2)n(C)c2cccc(Br)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 7/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34
HK1 P19367 1/20 0.34

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
SCHEMBL3853610 0.77 TP53 (0.46) ALDH1A1LMNAHSD17B10HPGDMAPT
SCHEMBL27973121 0.77 CNR2 (0.35) ALDH1A1LMNAHSD17B10CYP2C19HPGD
SCHEMBL3852280 0.74 PARP1 (0.42) CYP11B2PARP1ALDH1A1LMNAHSD17B10
SCHEMBL21975440 0.73 GPR3 (0.44) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL10067380 0.73 CYP11B2 (0.68) CYP11B2ALDH1A1LMNAHSD17B10CYP2C19
SCHEMBL12103427 0.71 ALDH1A1 (0.42) CYP11B2ALDH1A1LMNAHSD17B10CYP2C19
SCHEMBL18566674 0.69 GPR3 (0.58) ALDH1A1HSD17B10HPGDMAPTL3MBTL1
SCHEMBL3852371 0.69 CYP11B2 (0.47) CYP11B2ALDH1A1LMNAHSD17B10CYP2C19
SCHEMBL28186733 0.68 ALDH1A1 (0.57) CYP11B2ALDH1A1LMNAHSD17B10CYP2C19
SCHEMBL28811227 0.68 CYP11B2 (0.56) CYP11B2ALDH1A1LMNAHSD17B10CYP2C19

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-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US disclosed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 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-20050070592-A1 Substituted phenyl indoles TPH2, IDO2, AANAT CYP11B2 141/4885PARP1 473/4885ALDH1A1 423/4885

“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.