SCHEMBL2077842

SCHEMBL2077842

Cc1cccc(C(=O)Nc2cccc(C(=O)O)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 10/20 0.81
▸ KCNK9 Q9NPC2 8/20 0.81
▸ KCNH2 Q12809 1/20 0.81
▸ MEN1 O00255 5/20 0.79
▸ KMT2A Q03164 5/20 0.79
▸ POLB P06746 1/20 0.79
▸ RXFP1 Q9HBX9 1/20 0.76
▸ NR1H4 Q96RI1 2/20 0.67
▸ GPR17 Q13304 1/20 0.66
▸ NPC1 O15118 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ TP53 P04637 1/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.65
▸ PKM P14618 1/20 0.65
▸ CYP1A2 P05177 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ GAA P10253 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63

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
Hydrochloric Acid SCHEMBL2105161 0.98 KCNK3 (0.79) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL4253897 0.90 KCNK3 (0.93) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL21377679 0.89 KCNK3 (0.84) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL30608967 0.88 KCNK3 (0.87) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL259666 0.88 KCNK3 (0.87) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL13381198 0.88 L3MBTL1 (0.82) KCNK3KCNK9MEN1KMT2APOLB
SCHEMBL2076281 0.87 HPSE (0.72) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL7822889 0.87 MEN1 (0.78) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL16681527 0.87 KCNK3 (0.87) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL8734134 0.87 KCNK3 (0.76) KCNK3KCNK9KCNH2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163751-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-04-24 — — US disclosed
US-20100183712-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-07-22 — — US disclosed
US-7713963-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-11 — — US disclosed
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-04-12 — — US disclosed
US-7179839-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-20 — — US disclosed
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 — — US disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 — — US disclosed
EP-1373191-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2004-01-02 — — EP disclosed
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-03-20 — — US disclosed
WO-2002064545-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 — — WO disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 — — 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 (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-20100183712-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA KCNK3 771/4885KCNK9 1131/4885KCNH2 96/4885
US-20030055093-A1 Acylated indanyl amines and their use as pharmaceuticals EDNRA, VEGFA, EDNRB KCNK3 595/4885KCNK9 774/4885KCNH2 56/4885
US-20070082897-A1 ACYLATED INDANYL AMINES AND THEIR USE AS PHARMACEUTICALS EDNRA, EDNRB, VEGFA KCNK3 772/4885KCNK9 1132/4885KCNH2 95/4885

“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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