SCHEMBL5547423

SCHEMBL5547423

COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CCCO2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
GAA P10253 3/20 0.41
KDM4E B2RXH2 8/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 11/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 6/20 0.39
HSD17B10 Q99714 5/20 0.39
GLA P06280 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CASP1 P29466 4/20 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
SCHEMBL5541019 0.92 GAA (0.40) TSHRGAAKDM4EKMT2ASMN1; SMN2
SCHEMBL5545522 0.90 RXFP1 (0.41) TSHRGAAKDM4EKMT2ASMN1; SMN2
SCHEMBL5545339 0.89 HIF1A (0.41) GAAKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5546723 0.86 L3MBTL1 (0.38) GAAKMT2ASMN1; SMN2ALDH1A1HIF1A
SCHEMBL5545366 0.85 L3MBTL1 (0.43) GAAKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5540535 0.85 HIF1A (0.40) KDM4EKMT2ASMN1; SMN2ALDH1A1HIF1A
SCHEMBL5538730 0.84 CNR2 (0.42) POLB
SCHEMBL5541128 0.84 GAA (0.51) TSHRGAAKDM4EKMT2ASMN1; SMN2
SCHEMBL4584216 0.83 L3MBTL1 (0.44) TSHRKDM4EKMT2ASMN1; SMN2HTT
SCHEMBL5538439 0.83 GRIN2B (0.45) KDM4EKMT2AMAPTPOLBMEN1

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 4 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

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 TSHR 4052/4885GAA 2514/4885KDM4E 1268/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 TSHR 4622/4885GAA 1077/4885KDM4E 1255/4885

“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.