SCHEMBL697332

SCHEMBL697332

O=C(c1cccc(F)c1)c1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
KMT2A Q03164 2/20 0.48
PARP1 P09874 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALPL P05186 1/20 0.43
MEN1 O00255 1/20 0.42
F2RL1 P55085 1/20 0.41
PAK4 O96013 1/20 0.41
TLK2 Q86UE8 1/20 0.41
USP2 O75604 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL8736210 0.89 RAB9A (0.62) NPC1RAB9AKMT2AHDAC1F2RL1
SCHEMBL697323 0.83 NPC1 (0.56) NPC1RAB9ACES2CES1KMT2A
SCHEMBL697214 0.81 CES2 (0.41) NPC1RAB9ACES2CES1KMT2A
SCHEMBL4069827 0.81 NPC1 (0.54) NPC1RAB9AKMT2APARP1HDAC1
SCHEMBL111544 0.81 KMT2A (0.55) NPC1RAB9AKMT2APARP1MEN1
SCHEMBL7519925 0.81 RAB9A (0.54) NPC1RAB9AKMT2AHDAC1F2RL1
SCHEMBL13947485 0.81 RAB9A (0.54) NPC1RAB9AKMT2AHDAC1F2RL1
SCHEMBL110355 0.80 NPC1 (0.47) NPC1RAB9AKMT2AHDAC1F2RL1
SCHEMBL653633 0.80 NPC1 (0.70) NPC1RAB9ACES2CES1KMT2A
SCHEMBL653441 0.80 RAB9A (0.69) NPC1RAB9AKMT2AHDAC1MEN1

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 777/4885CES2 722/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885CES2 722/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885CES2 722/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885CES2 722/4885

“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.