SCHEMBL14790502

SCHEMBL14790502

Oc1ncccc1C#Cc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
FFAR1 O14842 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SLC16A3 O15427 2/20 0.34
ACACB O00763 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL28272578 0.75 ALDH1A1 (0.49) KDM4EALDH1A1FFAR1LMNAMEN1
SCHEMBL4148206 0.71 ALDH1A1 (0.41) KDM4EALDH1A1FFAR1LMNAMEN1
SCHEMBL14790629 0.71 GRM5 (0.35) KDM4EALDH1A1FFAR1LMNAMEN1
SCHEMBL20015760 0.69 CYP2A6 (0.57) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL1246271 0.69 CYP2A6 (0.57) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL30214469 0.69 FFAR1 (0.53) FFAR1CYP1A2
SCHEMBL4750207 0.69 FFAR1 (0.53) FFAR1CYP1A2
SCHEMBL18188105 0.69 FFAR1 (0.37) FFAR1
SCHEMBL12669341 0.68 ALOX15 (0.68) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL14711178 0.68 PTPN1 (0.34) KDM4EALDH1A1LMNAMEN1KMT2A

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 4 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-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 (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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KDM4E 4418/4885ALDH1A1 4135/4885FFAR1 51/4885

“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.