SCHEMBL14090995

SCHEMBL14090995

CC(C)/N=C(\NCCC[C@H](NC(=O)c1cccn(C(c2ccccc2)c2ccccc2)c1=O)C(=O)OC(C)(C)C)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 9/20 0.41
▸ MEN1 O00255 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MAPT P10636 6/20 0.41
▸ POLB P06746 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 6/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ CTSK P43235 2/20 0.35
▸ ATM Q13315 2/20 0.34
▸ RECQL P46063 2/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL14090802 0.89 C3AR1 (0.40) —
SCHEMBL14090986 0.87 NPSR1 (0.44) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL14091003 0.85 NPSR1 (0.41) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL14090912 0.83 CTSK (0.48) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL14090992 0.83 NPSR1 (0.41) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL27793061 0.83 NPSR1 (0.47) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL4993247 0.82 NPSR1 (0.40) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL4993253 0.82 NPSR1 (0.40) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL14090999 0.82 NPSR1 (0.39) NPSR1MEN1KMT2AMAPTPOLB
SCHEMBL4428163 0.81 NPSR1 (0.44) NPSR1MEN1KMT2AMAPTPOLB

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-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 — — US disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 — — 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 NPSR1 474/4885MEN1 2114/4885KMT2A 2978/4885

“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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