SCHEMBL17433834

SCHEMBL17433834

O=C(c1cccc2nc(Cl)ccc12)N1CC(F)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
PDE4B Q07343 6/20 0.43
PDE4D Q08499 5/20 0.43
PDE10A Q9Y233 1/20 0.43
P2RX7 Q99572 3/20 0.42
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
RIPK1 Q13546 3/20 0.40
POLB P06746 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL17434154 0.87 BACE1 (0.44) PDE4BPDE4DPDE10ARIPK1POLB
SCHEMBL17434024 0.84 PDE10A (0.47) SMN1; SMN2PDE4BPDE4DPDE10AP2RX7
SCHEMBL17447721 0.82 KMT2A (0.51) SMN1; SMN2POLBKMT2AATM
SCHEMBL17433921 0.82 SMN1; SMN2 (0.44) SMN1; SMN2PDE4BPDE4DPDE10AP2RX7
SCHEMBL17471670 0.81 PDE10A (0.44) SMN1; SMN2PDE4BPDE4DPDE10AP2RX7
SCHEMBL17433822 0.79 ALDH1A1 (0.57) SMN1; SMN2POLBKMT2A
SCHEMBL17433947 0.79 KMT2A (0.51) SMN1; SMN2POLBMAPTKMT2AATM
SCHEMBL12701071 0.75 NR4A1 (0.50) SMN1; SMN2PDE10AP2RX7MAPTKMT2A
SCHEMBL14898537 0.74 P2RX7 (0.48) SMN1; SMN2P2RX7POLBMAPTKMT2A
SCHEMBL28227760 0.72 ALDH1A1 (0.46) SMN1; SMN2P2RX7POLBMAPTKMT2A

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 8 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
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 2785/4885PDE4B 11/4885PDE4D 13/4885

“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.