SCHEMBL5548085

SCHEMBL5548085

CC(=O)NCCn1c(=O)c(C(=O)NCCN2CCNC2=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.40
GPR52 Q9Y2T5 1/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
HPGDS O60760 1/20 0.39
CREBBP Q92793 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
CNR2 P34972 5/20 0.37
LMNA P02545 1/20 0.37
SCN9A Q15858 1/20 0.36
CNR1 P21554 3/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36

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
SCHEMBL5545364 0.92 L3MBTL1 (0.47) DRD2HTR2CHRH1KDM4EALDH1A1
SCHEMBL16009206 0.92 KDM4E (0.39) DRD2HTR2CHRH1KDM4EALDH1A1
SCHEMBL5545568 0.92 KDM4E (0.49) KDM4EALDH1A1GPR52KMT2ARAB9A
SCHEMBL5539140 0.92 ALDH1A1 (0.42) DRD2HTR2CHRH1KDM4EALDH1A1
SCHEMBL5546806 0.91 ALDH1A1 (0.41) DRD2HTR2CHRH1KDM4EALDH1A1
SCHEMBL5539127 0.91 KDM4E (0.41) DRD2HTR2CHRH1KDM4EALDH1A1
SCHEMBL5546543 0.90 ALDH1A1 (0.41) DRD2HTR2CHRH1KDM4EALDH1A1
SCHEMBL5539044 0.90 KMT2A (0.46) DRD2HTR2CHRH1KDM4EALDH1A1
SCHEMBL5546931 0.89 HPGDS (0.40) DRD2HTR2CHRH1KDM4EALDH1A1
SCHEMBL5545515 0.89 MEN1 (0.42) KDM4EALDH1A1GPR52KMT2AMEN1

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 DRD2 1550/4885HTR2C 2211/4885HRH1 2503/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 DRD2 3368/4885HTR2C 4489/4885HRH1 4148/4885

“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.