SCHEMBL7098684

SCHEMBL7098684

C[C](C)C(=O)Nc1ccccc1F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HTT P42858 2/20 0.53
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL6850971 0.87 RAB9A (0.75) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL6851008 0.84 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL29408738 0.83 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL1430533 0.83 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL440095 0.82 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL29179553 0.80 RAB9A (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL16980390 0.79 RAB9A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL12683328 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL30851501 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL11202950 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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-20030216385-A1 Triazole derivatives YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2003-11-20 US disclosed
EP-1293503-A1 TRIAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-03-19 EP 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 (1 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-20030216385-A1 Triazole derivatives SLC18A3, SLC18A2, SLC6A3 RAB9A 1845/4885NPC1 262/4885SMN1; SMN2 2407/4885

“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.