SCHEMBL5547181

SCHEMBL5547181

COc1ccc(Nc2cc(Cc3ccc(F)cc3)cnc2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.45
AKR1C2 P52895 3/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FPR2 P25090 1/20 0.43
DAPK1 P53355 1/20 0.43
EGFR P00533 1/20 0.42
ERBB3 P21860 1/20 0.42
GAA P10253 2/20 0.42
ACP1 P24666 1/20 0.42
KLK7 P49862 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
RIOX2 Q8IUF8 1/20 0.41
KDM8 Q8N371 1/20 0.41

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
SCHEMBL5545758 0.91 SAE1 (0.45) AKR1C3AKR1C2SAE1UBA2LMNA
SCHEMBL4714781 0.91 P4HTM (0.45) KMT2ASMN1; SMN2GAA
SCHEMBL4715889 0.85 MEN1 (0.41) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5547029 0.83 CYP1A2 (0.47) LMNAMEN1KMT2AMAPTKDM4E
SCHEMBL5545753 0.80 LMNA (0.46) LMNAMEN1KMT2AMAPTKDM4E
SCHEMBL5546468 0.79 GAA (0.47) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5538820 0.77 CYP1A2 (0.46) LMNAMEN1KMT2AMAPTKDM4E
SCHEMBL4209227 0.75 AKR1C3 (0.66) AKR1C3AKR1C2MEN1KMT2AFPR2
SCHEMBL13850910 0.75 FFAR1 (0.44) LMNAMAPTSMN1; SMN2GAAGRM2
SCHEMBL4715108 0.75 KCNQ4 (0.45) GAAGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (2 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 AKR1C3 3071/4885AKR1C2 2881/4885SAE1 3100/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 AKR1C3 1375/4885AKR1C2 1174/4885SAE1 1604/4885

“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.