SCHEMBL4887399

SCHEMBL4887399

O=C(O)c1cn(-c2ccc(Cl)cc2)c(Cc2ccc(F)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
PTPN1 P18031 1/20 0.42
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 2/20 0.40
GABRA2 P47869 4/20 0.40
GABRB2 P47870 4/20 0.40
TBXA2R P21731 1/20 0.38
KCNH2 Q12809 2/20 0.38
PTGER1 P34995 1/20 0.38
CNR1 P21554 2/20 0.37

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
SCHEMBL5169770 0.86 ALDH1A1 (0.46) MEN1KMT2AATMPTPN1MAPT
SCHEMBL4888122 0.84 GABRA2 (0.61) KMT2AGABRA2GABRB2
SCHEMBL14022800 0.84 GPBAR1 (0.42) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL14022801 0.83 MEN1 (0.42) MEN1KMT2AATMPTPN1MAPT
SCHEMBL5169774 0.81 KMT2A (0.45) MEN1KMT2AATMPTPN1GABRA2
SCHEMBL27739164 0.78 GABRA2 (0.51) SMN1; SMN2GABRA2GABRB2TBXA2RPTGER1
SCHEMBL4894803 0.77 POLB (0.40) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL2683055 0.76 HTR2A (0.50) SMN1; SMN2GABRA2GABRB2
SCHEMBL1079580 0.75 HTR2A (0.49) SMN1; SMN2GABRA2GABRB2
SCHEMBL14022802 0.75 MAPT (0.43) MEN1KMT2AMAPTSMN1; SMN2GABRA2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242716-A1 calcium channel modulator; [1-(4-Chloro-phenyl)-2-(4-fluoro-benzyl)-1H-imidazol-4-ylmethyl]-(4-fluoro-phenyl)-)-methyl-amine; analgesic, antidiabetic agent; angina, hypertension, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. 2008-10-02 US disclosed
US-20080242716-A1 calcium channel modulator; [1-(4-Chloro-phenyl)-2-(4-fluoro-benzyl)-1H-imidazol-4-ylmethyl]-(4-fluoro-phenyl)-)-methyl-amine; analgesic, antidiabetic agent; angina, hypertension, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. 2008-10-02 US disclosed
US-20080242716-A1 calcium channel modulator; [1-(4-Chloro-phenyl)-2-(4-fluoro-benzyl)-1H-imidazol-4-ylmethyl]-(4-fluoro-phenyl)-)-methyl-amine; analgesic, antidiabetic agent; angina, hypertension, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. 2008-10-02 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
EP-1722787-A4 ION CHANNEL MODULATORS WYETH CORP (US) 2007-09-26 EP disclosed
CN-1938022-A Ion channel modulators SCION PHARMACEUTICALS INC (US) 2007-03-28 CN disclosed
CN-1930132-A Ion channel modulators WYETH CORP (US) 2007-03-14 CN disclosed
EP-1722787-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
EP-1723117-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005087229-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005086836-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 MEN1 3147/4885KMT2A 3236/4885ATM 4312/4885
US-20080242716-A1 calcium channel modulator; [1-(4-Chloro-phenyl)-2-(4-fluoro-benzyl)-1H-imidazol-4-ylmethyl]-(4-fluoro-phenyl)-)-methyl-amine; analgesic, antidiabetic agent; angina, hypertension, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1D, CACNA1C, TRPV1 MEN1 3786/4885KMT2A 836/4885ATM 2826/4885

“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.