SCHEMBL4152950

SCHEMBL4152950

COc1ccc(COc2ccnc(C(=O)O)c2OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ASPH Q12797 1/20 0.49
KDM8 Q8N371 1/20 0.49
ABCB1 P08183 1/20 0.49
RXRA P19793 1/20 0.48
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
PLA2G4B P0C869 1/20 0.45
FFAR1 O14842 1/20 0.45
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45

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
SCHEMBL10530981 0.96 RAB9A (0.54) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL4890014 0.89 KDM4E (0.47) KDM4EASPHKDM8RXRAALDH1A1
SCHEMBL4681700 0.88 RXRA (0.50) RAB9ANPC1SMN1; SMN2RXRAMRGPRX4
SCHEMBL5583635 0.88 RXRA (0.50) RAB9ANPC1SMN1; SMN2KDM4ERXRA
SCHEMBL8881471 0.84 MRGPRX4 (0.49) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL4159575 0.82 ABCB1 (0.51) RAB9ANPC1SMN1; SMN2POLBABCB1
SCHEMBL4140684 0.82 ABCB1 (0.53) RAB9ANPC1ABCB1HTR1AADRA1D
SCHEMBL784516 0.82 RAB9A (0.62) RAB9ANPC1SMN1; SMN2POLBKDM4E
SCHEMBL8882934 0.81 MRGPRX4 (0.53) RAB9ASMN1; SMN2ABCB1TP53PKM
SCHEMBL8883378 0.81 MRGPRX4 (0.50) RAB9ASMN1; SMN2ABCB1TP53PKM

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-20090099168-A1 HIV Integrase inhibitors DONGHI MONICA 2009-04-16 US disclosed
US-20070161639-A1 Hiv integrase inhibitors ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-07-12 US disclosed
EP-1725554-A1 HIV INTEGRASE INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2006-11-29 EP disclosed
WO-2005087766-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-09-22 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-20070161639-A1 Hiv integrase inhibitors DPYD, DUT, TYMP RAB9A 1733/4885NPC1 4324/4885SMN1; SMN2 3997/4885
US-20090099168-A1 HIV Integrase inhibitors DPYD, DUT, QDPR RAB9A 1781/4885NPC1 4236/4885SMN1; SMN2 4046/4885

“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.