SCHEMBL5546844

SCHEMBL5546844

CS(=O)(=O)NCCn1c(=O)c(C(=O)NCCCN2CCOCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR2 P34972 9/20 0.44
CNR1 P21554 6/20 0.44
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PIK3CA P42336 1/20 0.41
HPGD P15428 1/20 0.41
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 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
SCHEMBL5546995 0.96 CNR2 (0.48) CNR2CNR1TSHRPIK3CAHPGD
SCHEMBL5540707 0.91 CNR2 (0.47) LMNANPSR1CNR2CNR1TSHR
SCHEMBL15163489 0.91 CNR2 (0.45) LMNANPSR1CNR2CNR1TSHR
SCHEMBL5545929 0.89 CNR2 (0.45) LMNANPSR1CNR2CNR1TSHR
SCHEMBL15163633 0.89 CNR2 (0.46) CNR2CNR1TSHRALDH1A1PIK3CA
SCHEMBL15163675 0.89 CNR2 (0.46) LMNANPSR1CNR2CNR1TSHR
SCHEMBL5545314 0.89 ALDH1A1 (0.47) LMNANPSR1CNR2CNR1TSHR
Hydrochloric Acid SCHEMBL5545865 0.88 CNR2 (0.45) LMNANPSR1CNR2CNR1TSHR
SCHEMBL5545313 0.88 CNR2 (0.50) CNR2CNR1TSHRPIK3CAHPGD
SCHEMBL5541117 0.87 TSHR (0.47) LMNANPSR1CNR2CNR1TSHR

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 LMNA 3503/4885NPSR1 4539/4885CNR2 3954/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 LMNA 4134/4885NPSR1 4734/4885CNR2 4810/4885

“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.