SCHEMBL15880378

SCHEMBL15880378

COC(=O)c1ccccc1Oc1ccc(Br)nc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.47
SLC6A3 Q01959 3/20 0.46
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL31180981 0.83 KMT2A (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL15897488 0.81 SLC6A3 (0.60) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL31180955 0.79 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1SLC6A3
SCHEMBL31181078 0.79 KMT2A (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL29805952 0.77 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL4085546 0.77 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL29139940 0.77 KMT2A (0.64) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL2540179 0.77 CTNNB1 (0.62) KMT2AMEN1SMN1; SMN2HTTSLC6A3
SCHEMBL2441955 0.77 SLC6A3 (0.65) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL8782253 0.76 SLC6A3 (0.61) KMT2AMEN1SMN1; SMN2ALDH1A1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 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 (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 KMT2A 2450/4885MEN1 1384/4885SMN1; SMN2 3450/4885

“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.