SCHEMBL14879995

SCHEMBL14879995

CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)NCc1cc2ccccc2oc1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTMT1 Q9BV86 2/20 0.47
▸ F2 P00734 1/20 0.40
▸ ACE P12821 3/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ OPRM1 P35372 3/20 0.38
▸ OPRK1 P41145 3/20 0.38

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
SCHEMBL4581122 0.87 NTMT1 (0.55) NTMT1F2ACE
SCHEMBL7220733 0.77 TSHR (0.49) KMT2A
Coumarin SCHEMBL5701811 0.74 NMUR2 (0.45) NTMT1OPRM1OPRK1
SCHEMBL5180148 0.72 TAS1R3 (0.40) OPRM1OPRK1
SCHEMBL2285648 0.72 PREP (0.48) F2
SCHEMBL5702805 0.72 PREP (0.48) F2
SCHEMBL15147189 0.69 ACE (0.58) F2ACEOPRM1OPRK1
SCHEMBL19681253 0.68 SIRT6 (0.52) NTMT1F2
SCHEMBL4416398 0.68 MAOB (0.43) F2KMT2A
SCHEMBL4416405 0.68 MAOB (0.43) F2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-08-28 — — US claimed
WO-2013059622-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-04-25 — — WO claimed
US-9925251-B2 Treatments for Mycobacterium tuberculosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-27 — — US disclosed
US-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-08-28 — — US disclosed
WO-2013059622-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-04-25 — — 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-20140243255-A1 TREATMENTS FOR MYCOBACTERIUM TUBERCULOSIS CLPP, LONP1, CLPX NTMT1 791/4885F2 4599/4885ACE 396/4885

“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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