SCHEMBL12604467

SCHEMBL12604467

O=C(Nc1ccc(OCc2ccccc2)cc1)OCCn1ncc2ccccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ MITF O75030 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ MCHR1 Q99705 3/20 0.51
▸ MCHR2 Q969V1 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MMP2 P08253 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ KMT2A Q03164 3/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ LTA4H P09960 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL12604468 0.83 NPC1 (0.51) RAB9ANPC1MITFPKMSMN1; SMN2
SCHEMBL12604465 0.77 NPC1 (0.55) RAB9ANPC1MITFPKMMMP2
SCHEMBL8117377 0.77 NPC1 (0.61) RAB9ANPC1MITFPKMSMN1; SMN2
SCHEMBL8126626 0.76 NPC1 (0.63) RAB9ANPC1MITFPKMMMP2
SCHEMBL8117033 0.74 NPC1 (0.69) RAB9ANPC1MITFPKMSMN1; SMN2
SCHEMBL5454302 0.74 NPC1 (0.77) RAB9ANPC1MITFPKMSMN1; SMN2
SCHEMBL6956761 0.74 NPC1 (0.62) RAB9ANPC1MITFPKMSMN1; SMN2
SCHEMBL5384920 0.72 NPC1 (0.79) RAB9ANPC1MITFPKMSMN1; SMN2
SCHEMBL1690682 0.72 RAB9A (0.71) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL8127396 0.72 NPC1 (0.65) RAB9ANPC1MITFPKMSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066486-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-03-06 — — US disclosed
US-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-05-19 — — US disclosed
US-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-05-19 — — 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 (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-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF REL, RCOR3, RBBP4 RAB9A 2002/4885NPC1 1943/4885MITF 423/4885
US-20140066486-A1 REL INHIBITORS AND METHODS OF USE THEREOF REL, RCOR3, RBBP4 RAB9A 2002/4885NPC1 1943/4885MITF 423/4885

“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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