SCHEMBL13623988

SCHEMBL13623988

C#CCNC(=O)Cc1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)N(C)C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
CDK9 P50750 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
SCHEMBL13624116 0.91 LIPG (0.31) LIPGCDK9
SCHEMBL3992850 0.89 GPR52 (0.34) LIPGTP53MAPTMEN1KMT2A
SCHEMBL13623975 0.88 LIPG (0.33) LIPGTP53MAPTCDK9
SCHEMBL4117034 0.88 GPR52 (0.32) LIPGTP53MAPTMEN1KMT2A
SCHEMBL4272664 0.88 ANO1 (0.33) LIPGTP53MAPTMEN1KMT2A
SCHEMBL12378442 0.87 CDK9 (0.37) LIPGMAPTKDM4EHSD17B10LMNA
SCHEMBL3990156 0.87 CA12 (0.33) LIPGTP53MAPTMEN1KMT2A
SCHEMBL13624117 0.86 USP2 (0.30) TP53USP2LMNASMN1; SMN2
SCHEMBL13623970 0.86 PTGER4 (0.32) LIPGCDK9
SCHEMBL13623968 0.86 GAA (0.39) LIPGMEN1KMT2ASMN1; SMN2CDK9

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-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090291921-A1 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-11-26 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-20090291921-A1 INTEGRASE INHIBITORS TYMP, DNTT, PAICS LIPG 2233/4885TP53 481/4885MAPT 3768/4885

“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.