SCHEMBL4906178

SCHEMBL4906178

NC(=O)C1CCc2c(sc3cc(F)ccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.47
BCKDK O14874 1/20 0.41
RAB9A P51151 2/20 0.40
SIRT1 Q96EB6 2/20 0.39
ESR1 P03372 2/20 0.36
MAPT P10636 4/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PDE4B Q07343 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4902127 0.88 BCKDK (0.42) LIMK1BCKDKRAB9AESR1TP53
SCHEMBL4905684 0.81 LIMK1 (0.52) LIMK1MAPTTP53ALDH1A1KDM4E
SCHEMBL4894634 0.81 SIRT1 (0.38) LIMK1BCKDKRAB9ASIRT1ALDH1A1
SCHEMBL11797433 0.78 CYP17A1 (0.38) LIMK1
SCHEMBL11789258 0.75 LIMK1 (0.40) LIMK1RAB9AMAPTALDH1A1HPGD
SCHEMBL11789202 0.73 BCKDK (0.43) LIMK1BCKDKRAB9ASIRT1TP53
SCHEMBL11791824 0.72 LIMK1 (0.43) LIMK1RAB9AMAPTALDH1A1HPGD
SCHEMBL4904558 0.71 LIMK1 (0.40) LIMK1
SCHEMBL11809051 0.70 CYP17A1 (0.36) BCKDKRAB9ATP53
SCHEMBL4902790 0.70 CYP17A1 (0.36)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C LIMK1 2755/4885BCKDK 2145/4885RAB9A 4542/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C LIMK1 2755/4885BCKDK 2145/4885RAB9A 4542/4885

“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.