SCHEMBL5521150

SCHEMBL5521150

COc1ccc(-c2ccc(Cl)cc2)c(CO)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
ALOX12 P18054 3/20 0.51
MAPT P10636 2/20 0.51
ALOX15 P16050 2/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7832063 0.94 MEN1 (0.47) MEN1KMT2ANPSR1ALOX12MAPT
SCHEMBL14686282 0.90 CA1 (0.47) MEN1KMT2ANPSR1ALOX12MAPT
SCHEMBL5250908 0.87 CYP11B1 (0.50) MEN1KMT2ANPSR1ALOX12MAPT
SCHEMBL5510993 0.87 MEN1 (0.48) MEN1KMT2ANPSR1ALOX12MAPT
SCHEMBL1131926 0.85 MEN1 (0.47) MEN1KMT2ANPSR1ALOX12MAPT
SCHEMBL791494 0.85 MEN1 (0.50) MEN1KMT2ANPSR1ALOX12MAPT
SCHEMBL26768678 0.84 BAZ2B (0.56) MEN1KMT2ANPSR1MAPTRAB9A
SCHEMBL10138010 0.83 CYP11B1 (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL10138012 0.83 TDP1 (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL27821291 0.83 BAZ2B (0.53) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20070032497-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-7112600-B1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2006-09-26 US disclosed
US-6770666-B2 A THERAPEUTIC AGENT FOR TREATING HEPATITIS C, BASED ON POLYMERASE INHIBITORY ACTIVITY JAPAN TOBACCO INC. (JP) 2004-08-03 US disclosed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US disclosed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C MEN1 4842/4885KMT2A 3499/4885NPSR1 3934/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C MEN1 4728/4885KMT2A 3004/4885NPSR1 3106/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C MEN1 4760/4885KMT2A 2740/4885NPSR1 2932/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 MEN1 4479/4885KMT2A 3355/4885NPSR1 3077/4885

“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.