SCHEMBL30455592

SCHEMBL30455592

O=C(Nc1cc(F)cc(F)c1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.74
RAB9A P51151 7/20 0.74
HPGD P15428 1/20 0.74
KCNK3 O14649 3/20 0.67
KCNK9 Q9NPC2 2/20 0.67
MEN1 O00255 9/20 0.65
KMT2A Q03164 9/20 0.65
POLB P06746 2/20 0.62
P2RX1 P51575 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.58
PTPN1 P18031 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
SIRT1 Q96EB6 1/20 0.56

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
SCHEMBL22305399 0.86 KCNK3 (0.83) NPC1RAB9AKCNK3KCNK9MEN1
SCHEMBL7745683 0.85 P2RX1 (0.82) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL23447715 0.85 NPC1 (1.00) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL2912001 0.84 MEN1 (0.55) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL17803553 0.83 NPC1 (0.72) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL2567644 0.82 RAB9A (1.00) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL95290 0.81 MEN1 (0.54) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL20083923 0.81 KCNK3 (0.73) NPC1RAB9AKCNK3KCNK9MEN1
SCHEMBL11339882 0.81 NPC1 (0.64) NPC1RAB9AHPGDKCNK3KCNK9
SCHEMBL2295729 0.81 MEN1 (0.66) NPC1RAB9AHPGDKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12269814-B2 Process for preparing a compound useful to treat mycoses PULMOCIDE LIMITED (GB) 2025-04-08 US disclosed
US-11661415-B2 Process for preparing a compound useful to treat mycoses PULMOCIDE LIMITED (GB) 2023-05-30 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 (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-11661415-B2 Process for preparing a compound useful to treat mycoses DPM1, CYP51A1, ERG28 NPC1 713/4885RAB9A 1450/4885HPGD 929/4885
US-12269814-B2 Process for preparing a compound useful to treat mycoses C1R, CBR1, CBR3 NPC1 223/4885RAB9A 1340/4885HPGD 1735/4885

“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.