SCHEMBL12628558

SCHEMBL12628558

CC1OC(c2coc(-c3ccncc3)n2)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.36
▸ PKM P14618 2/20 0.36
▸ NPC1 O15118 10/20 0.36
▸ RAB9A P51151 10/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ USP7 Q93009 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ S1PR1 P21453 2/20 0.34
▸ ENPP3 O14638 2/20 0.34
▸ ENPP1 P22413 2/20 0.34
▸ ATAD2 Q6PL18 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NFKB1 P19838 1/20 0.31

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
SCHEMBL12629152 0.85 ENPP3 (0.48) TP53PKMNPC1RAB9ASMN1; SMN2
SCHEMBL12628651 0.83 S1PR1 (0.39) USP7S1PR1
SCHEMBL12628564 0.80 ADORA2A (0.31) —
SCHEMBL12628649 0.75 KDM4E (0.42) TP53PKMNPC1RAB9ASMN1; SMN2
SCHEMBL12628495 0.75 TDP1 (0.37) PKMNPC1RAB9AHTTKDM4E
SCHEMBL12628650 0.74 — —
SCHEMBL24375506 0.70 TP53 (0.45) TP53PKMNPC1RAB9ASMN1; SMN2
SCHEMBL12628494 0.68 — —
SCHEMBL14328205 0.67 NPC1 (0.57) NPC1RAB9AS1PR1ENPP3ENPP1
SCHEMBL16512894 0.66 ENPP3 (0.59) TP53PKMNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 — — 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 (3 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 TP53 2579/4885PKM 2180/4885NPC1 2681/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT TP53 4264/4885PKM 4518/4885NPC1 2525/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 TP53 4734/4885PKM 3725/4885NPC1 2508/4885

“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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