SCHEMBL4895798

SCHEMBL4895798

CCOC(=O)C1CCc2sc3ccc(C#N)cc3c2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RECQL P46063 1/20 0.40
PDK1 Q15118 1/20 0.40
LIMK1 P53667 1/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP11B2 P19099 2/20 0.35
LGMN Q99538 1/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4905260 0.84 PDK1 (0.42) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL4904247 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2ARECQL
SCHEMBL4904164 0.81 PDK1 (0.46) ALDH1A1KDM4EMEN1KMT2APDK1
SCHEMBL11229010 0.77 LIMK1 (0.53) ALDH1A1KDM4EGAAHSD17B10PDK1
SCHEMBL13591318 0.75 KDM4E (0.40) ALDH1A1KDM4EMEN1KMT2APDK1
SCHEMBL4903477 0.75 STS (0.36) KMT2ACYP11B2CYP11B1STS
SCHEMBL22070903 0.75 KDM4E (0.40) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL11789706 0.75 LIMK1 (0.57) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL11795888 0.75 LIMK1 (0.52) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL11805452 0.75 STS (0.40) STS

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 ALDH1A1 437/4885KDM4E 2502/4885MEN1 4451/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C ALDH1A1 437/4885KDM4E 2502/4885MEN1 4451/4885

“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.