SCHEMBL14788583

SCHEMBL14788583

COC(=O)c1cnnn1-c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HTT P42858 2/20 0.39
SMPD1 P17405 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19669151 0.84 TP53 (0.52) TP53MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL14711072 0.84 SLC5A1 (0.50) TP53MAPTTSHRALDH1A1HPGD
SCHEMBL25043899 0.81 TSHR (0.38) TP53MAPTTSHRALDH1A1HPGD
SCHEMBL5904833 0.81 CFTR (0.43) MAPTTSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL14711270 0.81 TSHR (0.41) MAPTTSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL16697431 0.72 SLC5A1 (0.46) TP53ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL16698019 0.72 TP53 (0.55) TP53MAPTALDH1A1HTTPTGS2
SCHEMBL5646683 0.71 HSD11B1 (0.55) TP53MAPTPTGS2LMNA
SCHEMBL23608677 0.71 OPRK1 (0.39)
SCHEMBL10985613 0.71 TP53 (0.74) TP53ALDH1A1SMN1; SMN2CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-05-14 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 TP53 4335/4885MAPT 4564/4885TSHR 449/4885
US-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 TP53 4825/4885MAPT 3829/4885TSHR 279/4885

“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.