SCHEMBL6100930

SCHEMBL6100930

O=C1c2c(c(O)c3nnccc3c2O)C(=O)N1CCc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.37
ALDH1A1 P00352 12/20 0.37
PKM P14618 4/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 10/20 0.37
MEN1 O00255 8/20 0.37
HPGD P15428 6/20 0.37
APOBEC3A P31941 1/20 0.36
RECQL P46063 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR55 Q9Y2T6 2/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL6101224 0.88 CASP3 (0.42) MAPTALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL4142509 0.83 KDM4E (0.43) MAPTALDH1A1PKMPOLBCYP2C19
SCHEMBL6100747 0.76 TYR (0.37) MAPTALDH1A1PKMPOLBKMT2A
SCHEMBL6100137 0.72 KDM4E (0.48) MAPTALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL13943354 0.72 CYP1A2 (0.43) MAPTALDH1A1PKMPOLBCYP3A4
SCHEMBL4150453 0.71 CYP1A2 (0.54) MAPTALDH1A1SMN1; SMN2CYP2C19KMT2A
SCHEMBL6102521 0.70 KCNN4 (0.39) POLBSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL6101774 0.70 TSHR (0.51) MAPTALDH1A1PKMSMN1; SMN2MAPK1
SCHEMBL6101250 0.69 CASP3 (0.48) MAPTALDH1A1PKMPOLBSMN1; SMN2
SCHEMBL4150996 0.69 CYP1A2 (0.51) ALDH1A1POLBCYP2C19HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211724-A1 Hiv integrase inhibitors VERSCHUEREN GASTON W 2006-09-21 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-20060211724-A1 Hiv integrase inhibitors SULT1A1, SULT2A1, SULT1E1 MAPT 4622/4885ALDH1A1 1124/4885PKM 2808/4885

“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.