SCHEMBL6436281

SCHEMBL6436281

O=C(Nc1ccccc1F)Nc1cccc(F)c1F

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.81
NPC1 O15118 8/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
HTT P42858 4/20 0.66
POLB P06746 1/20 0.64
KMT2A Q03164 8/20 0.62
MEN1 O00255 5/20 0.62
MAPT P10636 3/20 0.60
KDM4E B2RXH2 2/20 0.56
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
PKM P14618 2/20 0.55
LMNA P02545 2/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL30851501 0.90 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL11202950 0.90 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL31308926 0.83 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL6185781 0.82 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL21834403 0.81 NPC1 (0.81) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL28194618 0.80 POLB (0.56) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL27467650 0.80 RAB9A (0.80) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL2089515 0.80 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL2089517 0.80 KMT2A (0.52) RAB9ANPC1SMN1; SMN2HTTKMT2A
SCHEMBL5950253 0.80 KMT2A (0.61) RAB9ANPC1SMN1; SMN2HTTPOLB

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-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 US claimed
US-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity POSEIDON PHARMACEUTICALS A/S (DK) 2005-04-14 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 (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-20050080112-A1 Compounds for use in disorders associated with mast cell or basophil acitvity CPA3, HNMT, CMA1 RAB9A 983/4885NPC1 573/4885SMN1; SMN2 1207/4885

“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.