SCHEMBL3532309

SCHEMBL3532309

CCn1c(C2CCCN(Cc3ccccc3)C2)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.51
CYP2C9 P11712 1/20 0.49
HRH1 P35367 7/20 0.48
CYP2D6 P10635 6/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CHRM1 P11229 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRKAA2 P54646 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCD O00767 1/20 0.41

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
SCHEMBL1150787 0.90 KCNH2 (0.53) KCNH2CYP2C9HRH1CYP2D6ALDH1A1
SCHEMBL5123648 0.81 ALDH1A1 (0.46) KCNH2ALDH1A1TP53LMNAGAA
SCHEMBL1150877 0.75 CYP2C9 (0.55) KCNH2CYP2C9L3MBTL1ALDH1A1TP53
SCHEMBL2206489 0.75 CYP2C9 (0.71) KCNH2CYP2C9L3MBTL1ALDH1A1TP53
SCHEMBL1750285 0.74 KCNH2 (0.68) KCNH2CYP2C9ALDH1A1GAAMEN1
SCHEMBL1379533 0.74 KCNH2 (0.72) KCNH2CYP2C9L3MBTL1ALDH1A1TP53
SCHEMBL1150562 0.74 CYP2C9 (0.46) KCNH2CYP2C9CYP2D6L3MBTL1ALDH1A1
SCHEMBL2208851 0.73 KCNH2 (0.54) KCNH2CYP2C9L3MBTL1ALDH1A1TP53
SCHEMBL2209177 0.73 ALDH1A1 (0.52) KCNH2CYP2C9L3MBTL1ALDH1A1TP53
SCHEMBL1150447 0.73 CYP2C9 (0.46) KCNH2CYP2C9CYP2D6L3MBTL1ALDH1A1

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-7820660-B2 N-substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-26 US disclosed
US-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase MSD ITALIA S.R.L. (IT) 2008-11-06 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-20080275004-A1 N-Substituted hydroxypyrimidinone carboxamide inhibitors of HIV integrase IMPDH1, REV1, CCNI KCNH2 3623/4885CYP2C9 505/4885HRH1 91/4885

“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.