SCHEMBL25210484

SCHEMBL25210484

O=C(NCCNC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.59
RPA1 P27694 1/20 0.55
MALT1 Q9UDY8 11/20 0.53
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MARS1 P56192 4/20 0.50
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL30513027 1.00 CNR1 (0.59) CNR1RPA1MALT1MEN1LMNA
SCHEMBL24209030 1.00 CNR1 (0.59) CNR1RPA1MALT1MEN1LMNA
SCHEMBL24209029 0.88 CNR1 (0.50) CNR1RPA1MALT1MEN1LMNA
SCHEMBL8742182 0.86 CNR1 (0.62) CNR1RPA1MALT1MEN1LMNA
SCHEMBL24209055 0.84 MALT1 (0.54) MALT1MARS1NFKB1NFKB2RELA
SCHEMBL25211931 0.84 MALT1 (0.54) MALT1MARS1NFKB1NFKB2RELA
SCHEMBL24208665 0.84 CNR1 (0.58) CNR1
SCHEMBL30513100 0.84 CNR1 (0.58) CNR1
SCHEMBL24208703 0.84 CNR1 (0.58) CNR1
SCHEMBL24208783 0.82 CNR1 (0.72) CNR1

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-11655238-B2 MMPL3 inhibitors, compositions and uses thereof SHANGHAITECH UNIVERSITY (CN) 2023-05-23 US claimed

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-11655238-B2 MMPL3 inhibitors, compositions and uses thereof TIMP3, AFG3L2, MMP3 CNR1 4650/4885RPA1 2809/4885MALT1 2770/4885

“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.