SCHEMBL3158948

SCHEMBL3158948

Cc1ccccc1ON1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL6245335 0.98 TDP1 (0.50) TDP1CYP2D6CYP2C19LMNAMEN1
SCHEMBL27395096 0.82 CYP2A13 (0.46) TDP1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL4558224 0.82 KMT2A (0.48) TDP1CYP2D6CYP2C19LMNAMEN1
SCHEMBL11548078 0.78 CA12 (0.52) MEN1KMT2ATSHRALDH1A1POLB
SCHEMBL29995599 0.78 CA12 (0.52) MEN1KMT2ATSHRALDH1A1POLB
SCHEMBL16825239 0.76 KDM4E (0.43) LMNAMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL23850504 0.75 ALDH1A1 (0.47) TDP1CYP2D6CYP2C19LMNAMEN1
SCHEMBL3174770 0.75 TSHR (0.50) CYP2D6CYP2C19LMNAMEN1KMT2A
SCHEMBL2092995 0.75 TERT (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2092991 0.73 ALDH1A1 (0.40) MEN1KMT2ATSHRALDH1A1KDM4E

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-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO 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 (2 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 TDP1 4420/4885CYP2D6 2280/4885CYP2C19 1818/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 TDP1 4420/4885CYP2D6 2280/4885CYP2C19 1818/4885

“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.