SCHEMBL14711720

SCHEMBL14711720

Cn1nc(C(=O)O)c(-c2ccc(Br)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MCL1 Q07820 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL20027815 0.85 ALDH1A1 (0.43) NR1H2NR1H3KDM4EALDH1A1HPGD
SCHEMBL4767678 0.84 KDM4E (0.49) NR1H2NR1H3KDM4EALDH1A1HPGD
SCHEMBL1257963 0.83 BCL2L1 (0.43) KDM4EALDH1A1HPGDTSHRKMT2A
SCHEMBL14711251 0.79 TARBP2 (0.53) KDM4EALDH1A1CA1CA2CA4
SCHEMBL8214143 0.77 ALDH1A1 (0.54) NR1H2NR1H3KDM4EALDH1A1CA1
SCHEMBL8220878 0.75 ALOX15 (0.50) KDM4ETSHRMEN1KMT2AMAPT
SCHEMBL16060814 0.71 MEN1 (0.50) NR1H2NR1H3RXFP1DHODHALDH1A1
SCHEMBL2186183 0.71 ALDH1A1 (0.35) KDM4EALDH1A1HPGDTSHRPKM
SCHEMBL18838974 0.70 MCL1 (0.31) ALDH1A1HPGDTSHRMCL1NPC1
SCHEMBL14790653 0.69 LMNA (0.36) NR1H2NR1H3KDM4EALDH1A1TSHR

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 3 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
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 (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 NR1H2 162/4885NR1H3 191/4885RXFP1 235/4885

“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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