SCHEMBL6062008

SCHEMBL6062008

CC(C)OCCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCNC(=O)N2CCOCC2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
CNR1 P21554 5/20 0.39
LMNA P02545 1/20 0.38
PIK3CA P42336 1/20 0.37
P2RX3 P56373 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL6061368 0.90 MEN1 (0.43) CNR2KMT2ASMN1; SMN2MEN1CNR1
SCHEMBL15163633 0.89 CNR2 (0.46) CNR2KMT2ASMN1; SMN2MEN1CNR1
SCHEMBL5545834 0.88 KMT2A (0.42) CNR2KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL5546756 0.88 KMT2A (0.42) CNR2KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL5538810 0.88 CNR2 (0.49) CNR2KMT2ASMN1; SMN2MEN1CNR1
SCHEMBL5538700 0.88 HTT (0.41) CNR2KMT2ASMN1; SMN2MEN1CNR1
SCHEMBL15163511 0.87 CNR2 (0.44) CNR2KMT2ASMN1; SMN2MEN1CNR1
SCHEMBL15163634 0.87 MEN1 (0.41) CNR2KMT2ASMN1; SMN2MEN1CNR1
SCHEMBL5545546 0.86 KMT2A (0.42) CNR2KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL5546560 0.86 CNR2 (0.43) CNR2KMT2ASMN1; SMN2MEN1CNR1

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 5 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
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 CNR2 3954/4885KMT2A 502/4885SMN1; SMN2 4504/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CNR2 4810/4885KMT2A 819/4885SMN1; SMN2 4786/4885

“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.