SCHEMBL14790653

SCHEMBL14790653

CCc1nn(C)nc1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL15728789 0.81 RECQL (0.43) MEN1KMT2AMAPTKDM4EPTGS2
SCHEMBL8214143 0.76 ALDH1A1 (0.54) NR1H2NR1H3NPC1RAB9AMEN1
SCHEMBL8220878 0.74 ALOX15 (0.50) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL14298815 0.71 MEN1 (0.45) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL12871767 0.70 CA1 (0.42) LMNANR1H2NR1H3NPC1RAB9A
SCHEMBL14711251 0.69 TARBP2 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14790649 0.69 ERBB2 (0.50) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14711720 0.69 NR1H2 (0.41) NR1H2NR1H3NPC1RAB9AMEN1
SCHEMBL8223557 0.69 ESR1 (0.49) LMNANPC1RAB9AKMT2AMAPT
SCHEMBL19937234 0.68 GAA (0.41) GAA

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-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

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 LMNA 701/4885KCNH2 1624/4885NR1H2 162/4885

“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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