SCHEMBL3664682

SCHEMBL3664682

Cc1c(-c2c(-c3noc(Cc4ccc(F)cc4)n3)ncc3cccnc23)cc(N2CCCC2=O)cc1S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.33
KCNT2 Q6UVM3 1/20 0.33
FABP1 P07148 2/20 0.32
LMNA P02545 1/20 0.32
HCRTR1 O43613 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 2/20 0.31
CNR1 P21554 2/20 0.31
PIP4K2A P48426 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL965994 0.71 CALCA (0.41) USP2LMNAKMT2AMAPTNPC1
SCHEMBL965834 0.69 NPC1 (0.44) MEN1KMT2ACNR2CNR1NPC1
SCHEMBL966876 0.68 SMN1; SMN2 (0.37) USP2LMNACNR2MAPTNPC1
Hydrochloric Acid SCHEMBL967476 0.68 NPC1 (0.43) MEN1KMT2ACNR2CNR1NPC1
SCHEMBL13118257 0.65 PTGDR2 (0.36) USP2LMNAHCRTR1ALDH1A1PTGDR2
SCHEMBL966162 0.60 NPC1 (0.56) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL968379 0.59 CALCA (0.41) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL966079 0.58 MMP2 (0.39) MEN1KMT2ANPC1RAB9A
SCHEMBL965895 0.57 SMN1; SMN2 (0.41) USP2LMNAMEN1KMT2AMAPT
SCHEMBL966750 0.57 CALCA (0.40) LMNAKMT2ACNR2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 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 (1 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-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR USP2 4486/4885KCNT2 4431/4885FABP1 3534/4885

“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.