SCHEMBL6784024

SCHEMBL6784024

CNC(=O)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ TP53 P04637 1/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ NR1H4 Q96RI1 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
SCHEMBL6784028 0.82 MAPT (0.53) MAPTMAPK1TP53THRB
SCHEMBL19235492 0.79 GAA (0.51) —
SCHEMBL8312487 0.73 KCNQ3 (0.56) MAPTTHRB
SCHEMBL16562094 0.72 MAPT (0.69) MAPTTP53THRB
SCHEMBL13354673 0.71 — —
SCHEMBL29334955 0.71 EPHX2 (0.61) EPHX2NR1H4
SCHEMBL6783572 0.70 P2RX7 (0.52) —
SCHEMBL6784302 0.70 LMNA (0.48) —
SCHEMBL6783181 0.70 — —
SCHEMBL1503985 0.70 NPC1 (0.49) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776963-B2 Small molecule CD4 mimetics and uses thereof THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-10-03 — — US disclosed
US-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-05-17 — — US disclosed
WO-2010053583-A2 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF DANA FARBER CANCER INSTITUTE (US) 2010-05-14 — — 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 (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-20120122834-A1 SMALL MOLECULE CD4 MIMETICS AND USES THEREOF CD4, CCR1, RORC MAPT 4771/4885MAPK1 3896/4885TP53 1569/4885

“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.

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