SCHEMBL462903

SCHEMBL462903

COc1ccccc1-c1nnn(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
BRD4 O60885 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
EGLN1 Q9GZT9 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL461224 0.87 ALDH1A1 (0.43) HSD11B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15391223 0.84 CA12 (0.45) HSD11B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10172739 0.79 BRD4 (0.48) HSD11B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12523117 0.77 ALDH1A1 (0.50) HSD11B1ALDH1A1KDM4EHPGDBRD4
SCHEMBL10082090 0.77 TAAR1 (0.48) HSD11B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16708689 0.77 POLB (0.45) ALDH1A1KDM4EHPGDKMT2ALMNA
SCHEMBL17792584 0.72 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDBRD4KMT2A
SCHEMBL3436590 0.71 CA12 (0.52) HSD11B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL461436 0.70 TP53 (0.44) HSD11B1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25307207 0.70 HTT (0.46) ALDH1A1KDM4EHPGDHSD17B10TDP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2870141-B1 METHANETHIONE COMPOUNDS HAVING ANTIVIRAL ACTIVITY VIRONOVA INFLUENZA AB (SE) 2017-11-22 EP disclosed
US-9676734-B2 Compounds and methods VIRONOVA INFLUENZA AB (SE) 2017-06-13 US disclosed
US-20160280669-A1 COMPOUNDS AND METHODS VIRONOVA INFLUENZA AB (SE) 2016-09-29 US disclosed
US-9359310-B2 Methanethione compounds having antiviral activity VIRONOVA INFLUENZA AB (SE) 2016-06-07 US disclosed
EP-2621920-B1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2016-01-27 EP disclosed
EP-2621920-B1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2016-01-27 EP disclosed
US-20150133468-A1 METHANETHIONE COMPOUNDS HAVING ANTIVIRAL ACTIVITY VIRONOVA AB (SE) 2015-05-14 US disclosed
EP-2870141-A1 METHANETHIONE COMPOUNDS HAVING ANTIVIRAL ACTIVITY Vironova AB (SE) 2015-05-13 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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 (4 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 HSD11B1 865/4885ALDH1A1 728/4885KDM4E 3183/4885
US-20150133468-A1 METHANETHIONE COMPOUNDS HAVING ANTIVIRAL ACTIVITY MAVS, EIF2AK2, STING1 HSD11B1 917/4885ALDH1A1 2245/4885KDM4E 3277/4885
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A HSD11B1 1265/4885ALDH1A1 2107/4885KDM4E 1175/4885
US-20160280669-A1 COMPOUNDS AND METHODS EIF2AK2, ZC3HAV1, HIF1AN HSD11B1 415/4885ALDH1A1 1319/4885KDM4E 4199/4885

“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.