SCHEMBL12419558

SCHEMBL12419558

OB(O)c1ccc(-c2nnc(-c3cccc4c3OCCO4)o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ CHEK2 O96017 1/20 0.38
▸ NPC1 O15118 10/20 0.37
▸ RAB9A P51151 10/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ TSHR P16473 5/20 0.37
▸ HPGD P15428 5/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ METAP2 P50579 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL12419575 0.90 ALDH1A1 (0.44) CHEK2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12419567 0.84 PARP1 (0.37) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12419740 0.78 ALDH1A1 (0.37) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12419559 0.73 RAB9A (0.53) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2816834 0.72 NPC1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12419574 0.71 NPC1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12420282 0.71 RAB9A (0.36) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12508694 0.69 SMN1; SMN2 (0.66) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL16488121 0.69 ATR (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12419565 0.69 NPC1 (0.67) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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 STIM1 2386/4885ORAI1 3059/4885CHEK2 4865/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 STIM1 2386/4885ORAI1 3059/4885CHEK2 4865/4885

“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.

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