SCHEMBL5516525

SCHEMBL5516525

COc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(I)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.51
FFAR1 O14842 4/20 0.46
FFAR4 Q5NUL3 4/20 0.46
NPSR1 Q6W5P4 3/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX12 P18054 2/20 0.44
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTGER4 P35408 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CNR1 P21554 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7839255 0.95 NPSR1 (0.48) APPFFAR1FFAR4NPSR1MEN1
SCHEMBL7840330 0.88 MAPT (0.42) APPFFAR1FFAR4NPSR1MEN1
SCHEMBL10293539 0.88 FFAR1 (0.59) FFAR1FFAR4NPSR1MEN1KMT2A
SCHEMBL13165361 0.85 FFAR1 (0.46) FFAR1FFAR4NPSR1MEN1KMT2A
SCHEMBL791494 0.83 MEN1 (0.50) FFAR1FFAR4NPSR1MEN1KMT2A
SCHEMBL6700683 0.80 MAPT (0.46) FFAR1FFAR4NPSR1MEN1KMT2A
SCHEMBL27553691 0.79 FFAR1 (0.43) FFAR1FFAR4NPSR1MEN1KMT2A
SCHEMBL5510993 0.78 MEN1 (0.48) NPSR1MEN1KMT2AMAPTALOX12
SCHEMBL5521150 0.78 MEN1 (0.51) NPSR1MEN1KMT2AMAPTALOX12
SCHEMBL10138010 0.78 CYP11B1 (0.47) APPMEN1KMT2AMAPTKDM4E

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 8 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

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 APP 3831/4885FFAR1 3924/4885FFAR4 4511/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C APP 3990/4885FFAR1 3917/4885FFAR4 4184/4885
US-20070032497-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C APP 3549/4885FFAR1 4061/4885FFAR4 4156/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 APP 4685/4885FFAR1 4282/4885FFAR4 4331/4885

“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.