SCHEMBL831428

SCHEMBL831428

CC([C]=O)c1cc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
BRD4 O60885 1/20 0.44
KDM4E B2RXH2 5/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHEK1 O14757 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
CYP2A6 P11509 1/20 0.42
AOC3 Q16853 2/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
DAO P14920 2/20 0.41
HPGD P15428 2/20 0.41
SRD5A2 P31213 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DDO Q99489 1/20 0.41
CA2 P00918 1/20 0.40
RAB9A P51151 2/20 0.39

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
SCHEMBL9324354 0.82 ALOX5 (0.51) ALOX5BRD4KDM4ELMNATP53
SCHEMBL3663172 0.79 ALOX5 (0.55) ALOX5BRD4KDM4ELMNATP53
SCHEMBL30733359 0.79 ALOX5 (0.54) ALOX5BRD4KDM4ELMNATP53
SCHEMBL4985929 0.79 ALOX5 (0.54) ALOX5BRD4KDM4ELMNATP53
SCHEMBL336690 0.79 ALOX5 (0.54) ALOX5BRD4KDM4ELMNATP53
SCHEMBL10821148 0.79 ALOX5 (0.48) ALOX5BRD4KDM4ELMNATP53
SCHEMBL6039754 0.78 ALOX5 (0.48) ALOX5BRD4KDM4ELMNATP53
SCHEMBL9206908 0.78 ALOX5 (0.48) ALOX5BRD4KDM4ELMNATP53
Hydrochloric Acid SCHEMBL10821645 0.77 AOC3 (0.47) ALOX5BRD4KDM4ELMNATP53
SCHEMBL1706542 0.76 ALOX5 (0.51) ALOX5BRD4KDM4ELMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140046023-A1 SPECIFIC SORBENT FOR BINDING PROTEINS AND PEPTIDES, AND SEPARATION METHOD USING THE SAME INSTRACTION GMBH (DE) 2014-02-13 US disclosed
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 US disclosed
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 WO disclosed
US-6121311-A Method for treating cocainism JAPAN TOBACCO INC. (JP) 2000-09-19 US disclosed
US-5536737-A Compound having prolyl endopeptidase inhibitory activity and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 1996-07-16 US disclosed
EP-0670309-A1 COMPOUND WITH PROLYL ENDOPEPTIDASE INHIBITOR ACTIVITY AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 1995-09-06 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR ALOX5 69/4885BRD4 1317/4885KDM4E 3845/4885

“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.