SCHEMBL17434243

SCHEMBL17434243

O=C(c1cc(Cl)nc2ccccc12)N1CC[C@@H](O)C1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
CYP2C9 P11712 3/20 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
ATM Q13315 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
SCHEMBL17434244 1.00 SMN1; SMN2 (0.61) SMN1; SMN2GAAKMT2ACACNA1BAPBA1
SCHEMBL17434236 0.85 ALOX5AP (0.49) SMN1; SMN2KMT2ACACNA1BAPBA1RAB9A
SCHEMBL17434234 0.85 ALOX5AP (0.49) SMN1; SMN2KMT2ACACNA1BAPBA1RAB9A
SCHEMBL26107773 0.82 SMN1; SMN2 (0.69) SMN1; SMN2KMT2ARAB9AKDM4ECYP2C9
SCHEMBL6163959 0.80 KDM4E (0.64) SMN1; SMN2GAARAB9AKDM4EUSP2
SCHEMBL7229740 0.80 KDM4E (0.64) SMN1; SMN2GAARAB9AKDM4EUSP2
SCHEMBL7229129 0.80 KDM4E (0.64) SMN1; SMN2GAARAB9AKDM4EUSP2
SCHEMBL7746677 0.79 ALDH1A1 (0.71) SMN1; SMN2KDM4EUSP2HTTCYP2C9
SCHEMBL31395410 0.77 ACACB (0.54) SMN1; SMN2GAAKMT2ARAB9AKDM4E
SCHEMBL8918737 0.74 SMN1; SMN2 (0.51) SMN1; SMN2GAAKMT2ARAB9AKDM4E

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 7 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-9464076-B2 Benzothiophene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-11 US disclosed
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
US-20160024060-A1 BENZOTHIOPHENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-28 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 SMN1; SMN2 2785/4885GAA 480/4885KMT2A 2674/4885

“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.