SCHEMBL2207526

SCHEMBL2207526

O=C(NCc1ccc(F)cc1)c1nc2n(c(=O)c1O)C(=O)N(Cc1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.52
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.45
KCNH2 Q12809 1/20 0.45
CNR2 P34972 1/20 0.44
CYP2C9 P11712 1/20 0.43
PTGER4 P35408 1/20 0.43
PRKAA2 P54646 1/20 0.42
HPGD P15428 1/20 0.42
CALCA P06881 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2205473 0.84 KCNH2 (0.50) SMN1; SMN2MAPTALDH1A1KCNH2CYP2C9
SCHEMBL2531998 0.81 TP53 (0.51) SCDTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL13672427 0.81 ALDH1A1 (0.48) TP53SMN1; SMN2MAPTALDH1A1CYP2C9
SCHEMBL4397417 0.80 SCD (0.52) SCDTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL831152 0.79 KCNH2 (0.47) TP53SMN1; SMN2MAPTALDH1A1KCNH2
SCHEMBL2209177 0.79 ALDH1A1 (0.52) SCDTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL1750602 0.75 MAPT (0.63) TP53MAPTALDH1A1KCNH2CYP2C9
SCHEMBL1376535 0.75 MAPT (0.61) TP53MAPTALDH1A1KCNH2CYP2C9
SCHEMBL1376994 0.74 MAPT (0.60) TP53MAPTALDH1A1KCNH2CYP2C9
SCHEMBL5538731 0.74 KCNH2 (0.46) SCDTP53SMN1; SMN2ALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US claimed
EP-1866313-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-12-19 EP claimed
WO-2006103399-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-10-05 WO claimed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-20110257162-A1 HIV INTEGRASE INHIBITORS SUMMA VINCENZO 2011-10-20 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-7981879-B2 HIV integrase inhibitors Instituto di Ricerchi di Biologia Molecolare P. Angeletti S.p.A. (IT) 2011-07-19 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 US disclosed
US-20090253681-A1 HIV Integrase Inhibitors MSD ITALIA S.R.L. (IT) 2009-10-08 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-20110257162-A1 HIV INTEGRASE INHIBITORS REV1, CDK9, INTS9 SCD 2989/4885TP53 1367/4885SMN1; SMN2 2699/4885
US-20090253681-A1 HIV Integrase Inhibitors REV1, INTS9, H1-10 SCD 2745/4885TP53 871/4885SMN1; SMN2 3728/4885

“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.