SCHEMBL15902159

SCHEMBL15902159

O=C(O)c1[c]c2ncoc2cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CTNNB1 P35222 2/20 0.35
WNT3A P56704 2/20 0.35
ADORA2A P29274 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL15901993 0.64 MEN1 (0.41) ALDH1A1MEN1GAAKMT2ANPC1
SCHEMBL15902089 0.64 KDM4E (0.41) ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL984268 0.62 PIN1 (0.52) ALDH1A1RAB9ASMN1; SMN2HPGDALOX15
SCHEMBL703854 0.62 CTNNB1 (0.65) ALDH1A1MEN1GAAKMT2ANPC1
SCHEMBL9286289 0.61 HCAR2 (0.33)
Hydrochloric Acid SCHEMBL27928599 0.61 PIN1 (0.51) ALDH1A1RAB9ASMN1; SMN2HPGDALOX15
SCHEMBL27755564 0.61 PIN1 (0.51) ALDH1A1RAB9ASMN1; SMN2HPGDALOX15
Hydrochloric Acid SCHEMBL27755478 0.61 PIN1 (0.51) ALDH1A1RAB9ASMN1; SMN2HPGDALOX15
SCHEMBL15902280 0.60 PIN1 (0.36) ALDH1A1MEN1GAAKMT2ANPC1
SCHEMBL8980290 0.60 PIN1 (0.39) ALDH1A1MEN1GAAKMT2ANPC1

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 ALDH1A1 4135/4885MEN1 1384/4885GAA 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.