SCHEMBL6700684

SCHEMBL6700684

O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
NR1H4 Q96RI1 16/20 0.40
VDR P11473 5/20 0.40
PKM P14618 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C9 P11712 5/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 4/20 0.38
KCNH2 Q12809 3/20 0.38

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 SCHEMBL5513868 0.99 L3MBTL1 (0.41) L3MBTL1NR1H4VDRPKMSMN1; SMN2
SCHEMBL14383819 0.99 L3MBTL1 (0.40) L3MBTL1NR1H4VDRPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL5519634 0.99 L3MBTL1 (0.40) L3MBTL1NR1H4VDRPKMSMN1; SMN2
SCHEMBL6699127 0.95 L3MBTL1 (0.43) L3MBTL1NR1H4VDRPKMSMN1; SMN2
SCHEMBL6700818 0.95 L3MBTL1 (0.43) L3MBTL1NR1H4VDRPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL5512627 0.95 L3MBTL1 (0.42) L3MBTL1NR1H4VDRPKMSMN1; SMN2
Hydrochloric Acid SCHEMBL5515021 0.95 L3MBTL1 (0.42) L3MBTL1NR1H4VDRPKMSMN1; SMN2
SCHEMBL12204670 0.94 L3MBTL1 (0.42) L3MBTL1NR1H4VDRPKMSMN1; SMN2
SCHEMBL14586964 0.93 NR1H4 (0.46) L3MBTL1NR1H4VDRPKMSMN1; SMN2
SCHEMBL14031762 0.93 PKM (0.41) NR1H4PKMSMN1; SMN2CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US claimed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP claimed
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2008-10-09 US disclosed
US-7304085-B2 Nitrogen-containing heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-12-04 US disclosed
US-7304085-B2 Nitrogen-containing heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2007-12-04 US disclosed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-7285551-B2 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2007-10-23 US disclosed
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") PFIZER INC. 2007-10-04 US disclosed
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") PFIZER INC. 2007-10-04 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

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-20080247992-A1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES EIF2AK2, MAVS, NSUN3 L3MBTL1 1314/4885NR1H4 2462/4885VDR 3893/4885
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C L3MBTL1 3799/4885NR1H4 484/4885VDR 3852/4885
US-20070232644-A1 1-(2,4-difluorobenzyl)-N-hydroxy-3-{[3-(methylsulfonyl)pyrrolidin-1-yl]methyl}-1H-pyrrolo[2,3-c]pyridine-5-carboxamide;acquired immunodeficiency syndrome (\"AIDS\"), and AIDS related complex (\"ARC\") AP1M1, AP1G1, AP3B1 L3MBTL1 2820/4885NR1H4 888/4885VDR 1501/4885

“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.