SCHEMBL3777648

SCHEMBL3777648

O=C(Nc1cccc2cccnc12)c1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.78
PTGES O14684 1/20 0.71
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
MAPT P10636 4/20 0.61
TP53 P04637 1/20 0.61
PLEC Q15149 1/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
KCNK3 O14649 2/20 0.59
KCNK9 Q9NPC2 2/20 0.59
GAA P10253 1/20 0.59
KDM4E B2RXH2 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CASP3 P42574 2/20 0.57
SENP8 Q96LD8 2/20 0.57
SENP7 Q9BQF6 2/20 0.57
HTT P42858 1/20 0.56
SENP6 Q9GZR1 1/20 0.56

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
SCHEMBL27947220 0.89 KDR (1.00) KDRMEN1KMT2AL3MBTL1MAPT
SCHEMBL29510019 0.89 KDR (1.00) KDRMEN1KMT2AL3MBTL1MAPT
SCHEMBL3777404 0.83 PTGES (1.00) PTGESMEN1KMT2AMAPTTP53
SCHEMBL3764456 0.81 PTGES (0.78) KDRPTGESMEN1KMT2AL3MBTL1
SCHEMBL3770882 0.81 KCNK3 (0.66) PTGESMEN1KMT2AMAPTKCNK3
SCHEMBL30753823 0.80 L3MBTL1 (1.00) KDRMEN1KMT2AL3MBTL1MAPT
SCHEMBL28267081 0.80 L3MBTL1 (1.00) KDRMEN1KMT2AL3MBTL1MAPT
SCHEMBL27803940 0.79 KDR (0.81) KDRMEN1KMT2AL3MBTL1MAPT
SCHEMBL13010684 0.78 PTGES (0.82) PTGESMEN1KMT2AMAPTTP53
SCHEMBL6260903 0.78 KDR (1.00) KDRMEN1KMT2AL3MBTL1MAPT

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-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 US claimed
US-20100324086-A1 COMPOUNDS AND METHODS NOVASAID AB (SE) 2010-12-23 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-20100324086-A1 COMPOUNDS AND METHODS IL1B, LITAF, CYP11B1 KDR 4001/4885PTGES 54/4885MEN1 668/4885

“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.