SCHEMBL12419458

SCHEMBL12419458

OB(O)c1ccccc1-c1nnc(-c2ccccc2)o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 19/20 0.62
NPC1 O15118 18/20 0.62
SMN1; SMN2 Q16637 11/20 0.62
HPGD P15428 9/20 0.62
ALDH1A1 P00352 7/20 0.62
TSHR P16473 6/20 0.62
KDM4E B2RXH2 5/20 0.57
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.54
POLB P06746 1/20 0.53
ATAD2 Q6PL18 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL17069888 0.79 RAB9A (0.77) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12419482 0.78 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12765574 0.77 RAB9A (0.76) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL4336383 0.77 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12419470 0.77 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL12419473 0.77 RAB9A (0.41) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL46426 0.77 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL3429916 0.77 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL2816834 0.77 NPC1 (0.65) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL6450028 0.77 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 US disclosed
WO-2009126691-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC (US) 2009-10-15 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 RAB9A 1820/4885NPC1 472/4885SMN1; SMN2 3053/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 RAB9A 1820/4885NPC1 472/4885SMN1; SMN2 3053/4885

“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.