SCHEMBL15912475

SCHEMBL15912475

COC(=O)c1nccnc1Oc1c(F)cc(Br)cc1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GCK P35557 3/20 0.34
ACLY P53396 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
SOS1 Q07889 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ELANE P08246 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
SCHEMBL15880257 0.80 L3MBTL1 (0.45) L3MBTL1GCKACLYTDP1MAPT
SCHEMBL15880931 0.80 TDP1 (0.58) L3MBTL1KDM4ETDP1MAPTALDH1A1
SCHEMBL15912474 0.75 TDP1 (0.48) L3MBTL1TDP1NPSR1MAPTSMN1; SMN2
SCHEMBL8343718 0.75 MAPT (0.52) MAPTPOLB
SCHEMBL31214279 0.71 NPSR1 (0.48) L3MBTL1KDM4ETDP1NPSR1MAPT
SCHEMBL958881 0.71 NPSR1 (0.48) L3MBTL1KDM4ETDP1NPSR1MAPT
SCHEMBL31231846 0.71 NPSR1 (0.41) NOTUMNPSR1
SCHEMBL15543442 0.71 NPSR1 (0.41) NOTUMNPSR1
SCHEMBL4918494 0.70 P2RX7 (0.35) L3MBTL1NOTUMKDM4EACLYTDP1
SCHEMBL15880429 0.69 ALDH1A1 (0.49) L3MBTL1TDP1MAPTPOLBALDH1A1

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
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 L3MBTL1 2087/4885NOTUM 1014/4885KDM4E 4418/4885

“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.