SCHEMBL17434236

SCHEMBL17434236

Nc1cc(C(=O)N2CCC(O)C2)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.49
FEN1 P39748 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
NCF1 P14598 1/20 0.46
CYP2C9 P11712 5/20 0.46
ATM Q13315 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
PDE10A Q9Y233 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL17434234 1.00 ALOX5AP (0.49) ALOX5APFEN1CACNA1BAPBA1NCF1
SCHEMBL17434244 0.85 SMN1; SMN2 (0.61) CACNA1BAPBA1CYP2C9ATMKMT2A
SCHEMBL17434243 0.85 SMN1; SMN2 (0.61) CACNA1BAPBA1CYP2C9ATMKMT2A
SCHEMBL7229129 0.80 KDM4E (0.64) CYP2C9ALDH1A1LMNATSHRTDP1
SCHEMBL6163959 0.80 KDM4E (0.64) CYP2C9ALDH1A1LMNATSHRTDP1
SCHEMBL7229740 0.80 KDM4E (0.64) CYP2C9ALDH1A1LMNATSHRTDP1
SCHEMBL3076312 0.79 HSP90AA1 (0.63) ALOX5APFEN1ATMALDH1A1NPC1
SCHEMBL15237515 0.79 ALDH1A1 (0.71) NCF1CYP2C9ATMKMT2AALDH1A1
SCHEMBL17434303 0.75 TSHR (0.51) NCF1ALDH1A1TSHRPDE10APOLB
SCHEMBL17433817 0.75 TSHR (0.51) NCF1ALDH1A1TSHRPDE10APOLB

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-9464076-B2 Benzothiophene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-11 US disclosed
US-20160024060-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-28 US disclosed
EP-2975037-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-20 EP 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-20160024060-A1 BENZOTHIOPHENE DERIVATIVE PDE10A, PDE5A, PDE3B ALOX5AP 3888/4885FEN1 4370/4885CACNA1B 1438/4885

“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.