SCHEMBL14710459

SCHEMBL14710459

CCOC(=O)c1c(N)n[nH]c1-c1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.75
▸ SMN1; SMN2 Q16637 2/20 0.75
▸ MAPK10 P53779 1/20 0.75
▸ MAPT P10636 4/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TARBP2 Q15633 1/20 0.48
▸ TP53 P04637 3/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MAPK1 P28482 1/20 0.48

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
SCHEMBL16268584 0.80 HTT (0.65) HTTSMN1; SMN2MAPK10MAPTKDM4E
SCHEMBL17781303 0.77 SMN1; SMN2 (0.53) HTTSMN1; SMN2MAPK10MAPTKDM4E
SCHEMBL600955 0.74 PDE4D (0.71) HTTSMN1; SMN2MAPK10MAPTKDM4E
SCHEMBL942577 0.74 PDE4D (0.56) HTTSMN1; SMN2MAPK10MAPTKDM4E
SCHEMBL19209480 0.72 PDE4D (0.59) HTTSMN1; SMN2MAPK10MAPTKDM4E
SCHEMBL11160154 0.72 SMN1; SMN2 (0.55) HTTSMN1; SMN2MAPK10MAPTKDM4E
SCHEMBL14710592 0.72 MAPT (0.62) HTTSMN1; SMN2MAPK10MAPTKDM4E
SCHEMBL6950958 0.72 SMN1; SMN2 (0.55) HTTSMN1; SMN2MAPK10MAPTKDM4E
SCHEMBL27489531 0.72 SMN1; SMN2 (0.55) HTTSMN1; SMN2MAPK10MAPTKDM4E
SCHEMBL25206353 0.71 HTT (0.54) HTTSMN1; SMN2MAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 — — US disclosed
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
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 — — US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 — — US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 — — 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 (3 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 HTT 3090/4885SMN1; SMN2 3450/4885MAPK10 1607/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 HTT 3090/4885SMN1; SMN2 3450/4885MAPK10 1607/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 HTT 3090/4885SMN1; SMN2 3450/4885MAPK10 1607/4885

“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.

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