SCHEMBL4200653

SCHEMBL4200653

COc1c(C(=O)NCc2ccc(F)cc2)nn2c1c(=O)n(C)c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
RCE1 Q9Y256 1/20 0.51
RXFP1 Q9HBX9 4/20 0.48
POLB P06746 1/20 0.48
PPARG P37231 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PTGER4 P35408 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL4203809 0.87 MEN1 (0.61) SMN1; SMN2KMT2AMEN1RCE1RXFP1
SCHEMBL4195433 0.79 ADORA3 (0.44) SMN1; SMN2RXFP1POLBLMNATP53
SCHEMBL4201351 0.77 TP53 (0.42) KMT2AMEN1RXFP1TP53MAPT
SCHEMBL823459 0.71 MEN1 (0.58) SMN1; SMN2KMT2AMEN1TP53KDM4E
SCHEMBL18196228 0.70 KCNE1 (0.53) SMN1; SMN2KMT2AMEN1RCE1RXFP1
SCHEMBL6017632 0.69 KCNE1 (0.54) SMN1; SMN2KMT2AMEN1RCE1RXFP1
SCHEMBL15336453 0.68 LIPG (0.47) SMN1; SMN2KMT2AMEN1RXFP1POLB
SCHEMBL28434603 0.68 MAPK14 (0.45) SMN1; SMN2KMT2AMEN1RXFP1POLB
SCHEMBL4203022 0.67 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMEN1POLBLMNA
SCHEMBL6018704 0.67 KCNE1 (0.56) SMN1; SMN2KMT2AMEN1RCE1RXFP1

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-7476666-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-01-13 US disclosed
US-20080015187-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-17 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-20080015187-A1 Hiv Integrase Inhibitors REV1, ZC3HAV1, PNP SMN1; SMN2 4093/4885KMT2A 2181/4885MEN1 4287/4885

“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.