SCHEMBL15919053

SCHEMBL15919053

CCOC(=O)c1n[nH]nc1-c1cc(F)c(Br)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
ALOX5 P09917 2/20 0.34
THRB P10828 1/20 0.34
PTGES O14684 1/20 0.34
MAPT P10636 2/20 0.34
IDO1 P14902 1/20 0.33
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TARBP2 Q15633 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL17165936 0.74 ALOX5 (0.38) LMNAALOX5THRBTARBP2
SCHEMBL15897845 0.74 NPC1 (0.43) KDM4EPOLBL3MBTL1SMN1; SMN2LMNA
SCHEMBL15919052 0.73 TSHR (0.36) KDM4EPOLBSMN1; SMN2LMNAALOX5
SCHEMBL15912457 0.73 CYP1A2 (0.35)
SCHEMBL14711407 0.72 TARBP2 (0.54) KDM4EPOLBL3MBTL1SMN1; SMN2LMNA
SCHEMBL31107271 0.72 TARBP2 (0.41) KDM4EL3MBTL1LMNAALOX5MAPT
SCHEMBL28728827 0.71 PDE4D (0.52) KDM4EPOLBL3MBTL1LMNAMAPT
SCHEMBL25260946 0.70 TSHR (0.47) KDM4EL3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL841773 0.70 PDE4D (0.52) KDM4EPOLBL3MBTL1LMNAMAPT
SCHEMBL18039307 0.69 GAA (0.41) KDM4EPOLBL3MBTL1SMN1; SMN2LMNA

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-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 PDE10A 831/4885KDM4E 4418/4885ABCC9 2840/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 PDE10A 831/4885KDM4E 4418/4885ABCC9 2840/4885

“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.