SCHEMBL15901993

SCHEMBL15901993

O=C(O)c1[c]cc2ncoc2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CTNNB1 P35222 3/20 0.38
WNT3A P56704 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
NAMPT P43490 2/20 0.33
DYRK1A Q13627 2/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
PPARD Q03181 2/20 0.31
FFAR1 O14842 1/20 0.31
LMNA P02545 1/20 0.31
FASN P49327 1/20 0.30

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
SCHEMBL28237506 0.72 MEN1 (0.49) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL3492945 0.69 TAS1R3 (0.54) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL352573 0.68 ALDH1A1 (0.45) MEN1ALDH1A1GAAKMT2ANPC1
Ammonia Solution, Strong SCHEMBL20898199 0.68 TAS1R3 (0.52) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL15902085 0.67 NPC1 (0.51) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL32672647 0.67 MEN1 (0.44) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL8980287 0.67 MEN1 (0.44) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL941915 0.66 CHRNB2 (0.48) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL20274105 0.66 CHRNB2 (0.42) MEN1ALDH1A1GAAKMT2ANPC1
SCHEMBL5917867 0.66 ALDH1A1 (0.46) MEN1ALDH1A1GAAKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MEN1 1384/4885ALDH1A1 4135/4885GAA 957/4885

“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.