SCHEMBL4816552

SCHEMBL4816552

N[C](c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PKM P14618 2/20 0.52
KCNN4 O15554 2/20 0.45
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
BLM P54132 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F12 P00748 1/20 0.44
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
CYP3A4 P08684 1/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL2134930 0.84 BLM (0.58) PKMPOLBTDP1MEN1KMT2A
SCHEMBL24022828 0.79 NPC1 (0.61) NPC1RAB9APKMKCNN4POLB
SCHEMBL6312637 0.79 NPC1 (0.48) NPC1RAB9APKMPOLBTDP1
SCHEMBL10518218 0.79 NPC1 (0.48) NPC1RAB9APKMPOLBTDP1
Benzoic Acid SCHEMBL27848781 0.76 TSHR (0.64) NPC1RAB9APKMKCNN4POLB
SCHEMBL17068941 0.75 ALDH1A1 (0.70) NPC1RAB9APOLBTDP1MEN1
SCHEMBL7907022 0.75 MEN1 (0.54) NPC1RAB9APKMPOLBTDP1
SCHEMBL9729472 0.75 NPC1 (0.47) NPC1RAB9APKMPOLBTDP1
SCHEMBL7940606 0.75 ALDH1A1 (0.70) NPC1RAB9APOLBTDP1MEN1
SCHEMBL251921 0.75 ALDH1A1 (0.70) NPC1RAB9APOLBTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323563-B2 Hydroxamic acid derivatives as antibacterials BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
EP-1754477-A2 Hydroxamic acid derivatives as antibacterials Vernalis (Oxford) Limited (GB) 2007-02-21 EP disclosed
EP-1079819-B1 HYDROXAMIC ACID DERIVATIVES AS ANTIBACTERIALS VERNALIS OXFORD LTD (GB) 2006-12-06 EP disclosed
US-20060211732-A1 Hydroxamic acid derivatives as antibacterials BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2006-09-21 US disclosed
US-6992190-B2 Hydroxamic acid derivatives as antibacterials BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2006-01-31 US disclosed
US-20020198241-A1 Hydroxamic acid derivatives as antibacterials BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-12-26 US disclosed
US-6441042-B1 HYDROXYAMIDES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-08-27 US disclosed
EP-1079819-A1 HYDROXAMIC ACID DERIVATIVES AS ANTIBACTERIALS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-03-07 EP disclosed
WO-1999059568-A1 HYDROXAMIC ACID DERIVATIVES AS ANTIBACTERIALS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-11-25 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-20060211732-A1 Hydroxamic acid derivatives as antibacterials SLC7A1, EGLN2, PIGS NPC1 2360/4885RAB9A 2949/4885PKM 3005/4885
US-20020198241-A1 Hydroxamic acid derivatives as antibacterials SLC7A1, EGLN2, PIGS NPC1 2124/4885RAB9A 3012/4885PKM 3062/4885

“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.