SCHEMBL698741

SCHEMBL698741

Cc1cc(C(=O)c2ncc[nH]2)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
F2RL1 P55085 1/20 0.45
BRAF P15056 3/20 0.43
HDAC1 Q13547 2/20 0.43
KMT2A Q03164 1/20 0.42
PIM1 P11309 1/20 0.40
HSD17B14 Q9BPX1 4/20 0.38
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL703290 0.82 NPC1 (0.44) NPC1RAB9AF2RL1PIM1KDM4E
SCHEMBL27733631 0.79 NPC1 (0.51) NPC1RAB9AF2RL1BRAFHDAC1
SCHEMBL6420193 0.78 NPC1 (1.00) NPC1RAB9ABRAFHDAC1KMT2A
SCHEMBL653633 0.78 NPC1 (0.70) NPC1RAB9AF2RL1BRAFHDAC1
SCHEMBL4355959 0.77 SMN1; SMN2 (0.53) NPC1HDAC1PIM1HSD17B14HSD17B1
SCHEMBL8736210 0.76 RAB9A (0.62) NPC1RAB9AF2RL1BRAFHDAC1
SCHEMBL697332 0.76 NPC1 (0.54) NPC1RAB9AF2RL1HDAC1KMT2A
SCHEMBL698758 0.75 NPC1 (0.60) NPC1RAB9AF2RL1BRAFHDAC1
SCHEMBL697323 0.74 NPC1 (0.56) NPC1RAB9AF2RL1BRAFHDAC1
SCHEMBL10834286 0.74 NPC1 (0.70) NPC1RAB9ABRAFHDAC1KMT2A

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 777/4885F2RL1 3870/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885F2RL1 3870/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885F2RL1 3870/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 NPC1 745/4885RAB9A 777/4885F2RL1 3870/4885

“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.