SCHEMBL3852280

SCHEMBL3852280

Cc1c(-c2ccccc2)n(C)c2cccc(-c3ccc(O)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP2C19 P33261 1/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
RET P07949 1/20 0.40
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
ESR2 Q92731 4/20 0.39
ESR1 P03372 4/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3855882 0.83 L3MBTL1 (0.47) PARP1ALDH1A1KDM4EGAALMNA
SCHEMBL3855188 0.80 ESR1 (0.44) HSD17B10ALDH1A1HPGDESR2ESR1
SCHEMBL3852458 0.79 FABP4 (0.53) CYP2C19ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3852489 0.76 ALDH1A1 (0.37) PARP1HSD17B10ALDH1A1HPGDESR1
SCHEMBL3860742 0.76 FAAH (0.51) HSD17B10CYP2C19ALDH1A1HPGDKDM4E
SCHEMBL27653131 0.76 RET (0.56) HSD17B10CYP2C19HSD11B1ALDH1A1HPGD
SCHEMBL3853659 0.74 CYP11B2 (0.41) PARP1HSD17B10CYP2C19HSD11B1ALDH1A1
SCHEMBL3853196 0.73 RAB9A (0.35) PARP1HPGDKDM4EGAASMN1; SMN2
SCHEMBL3856953 0.72 ESR1 (0.52) HSD17B10CYP2C19ALDH1A1HPGDMMP3
SCHEMBL27673093 0.72 RET (0.42) HSD11B1HPGDRETESR2ESR1

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 PARP1 473/4885HSD17B10 2232/4885CYP2C19 433/4885

“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.