SCHEMBL3377142

SCHEMBL3377142

O=C(c1cccc(NCc2ccccc2)c1)N1CCN(c2ccccc2F)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
KMT2A Q03164 2/20 0.68
MAPK1 P28482 2/20 0.68
MEN1 O00255 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
HSD17B10 Q99714 1/20 0.68
KDM4E B2RXH2 1/20 0.64
ALOX15 P16050 1/20 0.64
TP53 P04637 2/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PARP1 P09874 1/20 0.54
PARP14 Q460N5 1/20 0.53
PARP10 Q53GL7 1/20 0.53
SLC6A7 Q99884 1/20 0.52
APOBEC3A P31941 1/20 0.52

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
SCHEMBL20394949 0.88 ALOX15 (0.68) ALDH1A1SMN1; SMN2KMT2AMAPK1MEN1
SCHEMBL3377135 0.85 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2KMT2AMAPK1MEN1
SCHEMBL17075494 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPK1MEN1
SCHEMBL3379277 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MAPK1KDM4ETP53
SCHEMBL20394948 0.79 KDM4E (0.68) ALDH1A1SMN1; SMN2KMT2AMAPK1MEN1
SCHEMBL911349 0.77 MGLL (0.53) ALDH1A1SMN1; SMN2KMT2AMAPK1MEN1
SCHEMBL10144119 0.77 ALDH1A1 (0.82) ALDH1A1SMN1; SMN2KMT2AMAPK1MEN1
SCHEMBL3379832 0.76 PARP1 (0.53) SMN1; SMN2KMT2AMAPK1MEN1LMNA
SCHEMBL1844033 0.75 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMAPK1MEN1
SCHEMBL3377193 0.74 NAMPT (0.53) ALDH1A1SMN1; SMN2KMT2AMAPK1MEN1

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
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP claimed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (3 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 ALDH1A1 1360/4885SMN1; SMN2 2793/4885KMT2A 386/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 ALDH1A1 3795/4885SMN1; SMN2 2258/4885KMT2A 1511/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 ALDH1A1 1360/4885SMN1; SMN2 2793/4885KMT2A 386/4885

“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.