SCHEMBL4178236

SCHEMBL4178236

Fc1cc(F)cc(OCN2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
HTT P42858 2/20 0.40
LTA4H P09960 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
CXCR1 P25024 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
GRM5 P41594 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL990744 0.98 HTT (0.41) HRH3HTTLTA4HMEN1LMNA
SCHEMBL3159066 0.81 ESR1 (0.40) HRH3LMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3163559 0.81 HRH3 (0.63) HRH3HTTLTA4HMEN1LMNA
SCHEMBL4664868 0.80 SMN1; SMN2 (0.51) LTA4HKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7404714 0.75 GRM5 (0.38) GRM5GRIN1GRIN2B
Hydrochloric Acid SCHEMBL7464431 0.74 CHRNB2 (0.37) GRM5GRIN1GRIN2B
SCHEMBL28095209 0.73 CXCR1 (0.43) HRH3HTTLTA4HMEN1LMNA
SCHEMBL3154476 0.72 HRH3 (0.57) HRH3LTA4HCXCR1KDM4ESMN1; SMN2
SCHEMBL12486958 0.69 LTA4H (0.58) HRH3LTA4HCXCR1KDM4ESMN1; SMN2
SCHEMBL30340989 0.69 ALDH1A1 (0.67) HRH3HTTKDM4ESMN1; SMN2ALDH1A1

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 4 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
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 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 (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 HRH3 1068/4885HTT 862/4885LTA4H 586/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 HRH3 1068/4885HTT 862/4885LTA4H 586/4885

“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.