SCHEMBL3859443

SCHEMBL3859443

Cc1ccc(Sc2cccc3c4c([nH]c23)CCN(C(=O)OC(C)(C)C)C4)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
PABPC1 P11940 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CFTR P13569 2/20 0.41
F12 P00748 3/20 0.40
BAZ2B Q9UIF8 2/20 0.40
CTSK P43235 1/20 0.40
MAPT P10636 1/20 0.40
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
ESR2 Q92731 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL1845995 0.86 CTSK (0.51) LMNAPABPC1ATMSMN1; SMN2CFTR
SCHEMBL1841280 0.80 LMNA (0.46) LMNAPABPC1ATMSMN1; SMN2CFTR
SCHEMBL21154244 0.80 CFTR (0.56) LMNAPABPC1ATMSMN1; SMN2CFTR
SCHEMBL5510072 0.80 F12 (0.47) LMNAPABPC1ATMSMN1; SMN2CFTR
SCHEMBL5512666 0.79 MAPT (0.53) LMNAPABPC1ATMSMN1; SMN2CFTR
SCHEMBL3866765 0.79 HDAC1 (0.44) F12DDB1CRBNHDAC1HDAC6
SCHEMBL3860818 0.78 CHRNA7 (0.50) TDP1MAPK1
SCHEMBL1843650 0.78 CTSK (0.51) LMNAPABPC1ATMSMN1; SMN2CFTR
SCHEMBL2244149 0.78 CTSK (0.52) LMNAPABPC1ATMSMN1; SMN2CFTR
SCHEMBL5511793 0.76 LMNA (0.51) LMNAPABPC1ATMSMN1; SMN2CFTR

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-7592454-B2 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 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-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR1D LMNA 3302/4885PABPC1 4743/4885ATM 3977/4885

“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.