SCHEMBL17471665

SCHEMBL17471665

[2H]C([2H])(OC)c1cccc2nc(Cl)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
P2RX7 Q99572 3/20 0.35
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NCF1 P14598 6/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYBB P04839 2/20 0.32
NR1I3 Q14994 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32

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
SCHEMBL17434083 0.83 TUBB4A (0.42) KDM4EP2RX7POLBALDH1A1MEN1
SCHEMBL17471658 0.79 P2RX7 (0.34) KDM4EP2RX7MAPTNCF1MAOA
SCHEMBL17471664 0.78 P2RX7 (0.40) KDM4EP2RX7POLBALDH1A1MAPT
SCHEMBL17433791 0.77 PDE10A (0.42) KDM4EP2RX7ALDH1A1NCF1MEN1
SCHEMBL1599253 0.74 BACE1 (0.39) KDM4EP2RX7MAPTNCF1MAOA
SCHEMBL13349519 0.74 MAOA (0.42) KDM4EP2RX7POLBALDH1A1MAPT
SCHEMBL6174942 0.74 KDM4E (0.47) KDM4EP2RX7POLBALDH1A1MAPT
SCHEMBL16339195 0.73 GABRA1 (0.44) P2RX7MAOAMAOBMEN1KMT2A
SCHEMBL17434140 0.73 CYP1A2 (0.46) KDM4EP2RX7ALDH1A1MAPTMAPK1
SCHEMBL31557869 0.73 GABRA1 (0.44) P2RX7MAOAMAOBMEN1KMT2A

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-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

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 KDM4E 1707/4885P2RX7 1028/4885POLB 3415/4885

“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.