SCHEMBL697323

SCHEMBL697323

O=C(c1cc(F)cc(F)c1)c1ncc[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
KMT2A Q03164 1/20 0.45
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
BRAF P15056 3/20 0.40
HDAC1 Q13547 2/20 0.40
F2RL1 P55085 1/20 0.39
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GLA P06280 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TTR P02766 1/20 0.34
NTRK1 P04629 1/20 0.33

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
SCHEMBL698758 0.89 NPC1 (0.60) NPC1RAB9AKMT2ACES2CES1
SCHEMBL27753969 0.85 NPC1 (0.46) NPC1RAB9AKMT2ACES2CES1
SCHEMBL697332 0.83 NPC1 (0.54) NPC1RAB9AKMT2ACES2CES1
SCHEMBL653633 0.82 NPC1 (0.70) NPC1RAB9AKMT2ACES2CES1
SCHEMBL706123 0.79 NPC1 (0.37) NPC1RAB9ACES2CES1F2RL1
SCHEMBL1324 0.78 NPC1 (0.62) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL7849512 0.77 NPC1 (0.54) NPC1RAB9AKMT2ABRAFHDAC1
SCHEMBL8736210 0.76 RAB9A (0.62) NPC1RAB9AKMT2ABRAFHDAC1
Bromide SCHEMBL7371333 0.76 NPC1 (0.60) NPC1RAB9AKMT2ABRAFHDAC1
Ammonia Solution, Strong SCHEMBL16266978 0.76 NPC1 (0.60) NPC1RAB9AKMT2ABRAFHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885KMT2A 945/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885KMT2A 945/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885KMT2A 945/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885KMT2A 945/4885

“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.