SCHEMBL2575722

SCHEMBL2575722

O=C(Nc1ccc(Oc2ccc(NC(=O)c3ccco3)cc2)cc1)c1ccco1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.91
TP53 P04637 6/20 0.91
LMNA P02545 4/20 0.91
RAB9A P51151 9/20 0.86
NPC1 O15118 7/20 0.86
HTT P42858 3/20 0.86
HPGD P15428 3/20 0.86
GAA P10253 3/20 0.86
ALDH1A1 P00352 2/20 0.86
ALOX15 P16050 1/20 0.86
TSHR P16473 1/20 0.86
MAPK1 P28482 1/20 0.86
L3MBTL1 Q9Y468 1/20 0.86
KMT2A Q03164 6/20 0.79
MAPT P10636 4/20 0.79
MEN1 O00255 4/20 0.79
NPSR1 Q6W5P4 2/20 0.79
PKM P14618 1/20 0.77
PTPN2 P17706 1/20 0.73
PTPN1 P18031 1/20 0.73

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
SCHEMBL12259162 0.88 NPC1 (0.90) SMN1; SMN2TP53LMNARAB9ANPC1
SCHEMBL6633618 0.87 KMT2A (0.89) SMN1; SMN2TP53LMNARAB9ANPC1
SCHEMBL12167627 0.84 SMN1; SMN2 (0.70) SMN1; SMN2TP53LMNARAB9ANPC1
SCHEMBL12167788 0.84 SMN1; SMN2 (0.79) SMN1; SMN2TP53LMNARAB9ANPC1
SCHEMBL6637453 0.83 PTPN2 (0.77) SMN1; SMN2TP53LMNARAB9ANPC1
SCHEMBL14567962 0.83 SMN1; SMN2 (0.75) SMN1; SMN2TP53LMNARAB9ANPC1
SCHEMBL580225 0.83 SMN1; SMN2 (0.71) SMN1; SMN2TP53LMNARAB9ANPC1
SCHEMBL2997673 0.82 RAB9A (1.00) SMN1; SMN2TP53LMNARAB9ANPC1
SCHEMBL12167652 0.82 TDP1 (0.71) SMN1; SMN2TP53LMNARAB9ANPC1
SCHEMBL19419914 0.82 NPC1 (0.78) SMN1; SMN2TP53LMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973735-B1 POLYAROMATIC ANTIVIRAL COMPOSITIONS UPJOHN CO (US) 2003-01-29 EP claimed
US-5958983-A NOVEL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST HERPES, TOPICAL ADMINISTRATION THEM TO TREAT PATIENTS WITH HERPES; WORK BY INHIBITING THE INITIATION OF HERPES VIRAL DNA SYNTHESIS IN HOST CELLS PHARMACIA & UPJOHN COMPANY (US) 1999-09-28 US claimed
US-8268885-B2 Entry inhibitors of the HIV virus JANSSEN R&D IRELAND (IE) 2012-09-18 US disclosed
EP-1667675-B1 ENTRY INHIBITORS OF THE HIV VIRUS TIBOTEC PHARM LTD (IE) 2011-11-09 EP disclosed
US-20070066623-A1 Entry inhibitors of the hiv virus JANSSEN R&D IRELAND (IE) 2007-03-22 US disclosed
EP-0973735-B1 POLYAROMATIC ANTIVIRAL COMPOSITIONS UPJOHN CO (US) 2003-01-29 EP disclosed
EP-1148048-A2 Polyaromatic antiviral compositions PHARMACIA & UPJOHN COMPANY (US) 2001-10-24 EP disclosed
US-6147116-A TOPICALLY ADMINISTERING BENZENE DERIVATIVE SUBSTITUTED WITH UREIDO-, THIOUREIDO, AND/OR SULFONAMIDO GROUPS TO TREAT HERPES PHARMACIA & UPJOHN COMPANY (US) 2000-11-14 US disclosed
EP-0973735-A2 POLYAROMATIC ANTIVIRAL COMPOSITIONS PHARMACIA & UPJOHN COMPANY (US) 2000-01-26 EP disclosed
US-5958983-A NOVEL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST HERPES, TOPICAL ADMINISTRATION THEM TO TREAT PATIENTS WITH HERPES; WORK BY INHIBITING THE INITIATION OF HERPES VIRAL DNA SYNTHESIS IN HOST CELLS PHARMACIA & UPJOHN COMPANY (US) 1999-09-28 US disclosed
WO-1998045259-A2 POLYAROMATIC ANTIVIRAL COMPOSITIONS PHARMACIA & UPJOHN COMPANY (US) 1998-10-15 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 (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-20070066623-A1 Entry inhibitors of the hiv virus HAVCR2, CCR5, SAMHD1 SMN1; SMN2 4809/4885TP53 3579/4885LMNA 3052/4885

“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.