SCHEMBL6489465

SCHEMBL6489465

CC(NSc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 3/20 0.42
▸ MTNR1B P49286 3/20 0.42
▸ ADAMTS4 O75173 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MME P08473 2/20 0.38
▸ LTA4H P09960 1/20 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
SCHEMBL7805609 1.00 MTNR1A (0.42) MTNR1AMTNR1BADAMTS4LMNASMN1; SMN2
SCHEMBL6489470 1.00 MTNR1A (0.42) MTNR1AMTNR1BADAMTS4LMNASMN1; SMN2
SCHEMBL11571322 0.83 CYP2C19 (0.50) LMNASMN1; SMN2TSHRL3MBTL1
SCHEMBL19248316 0.81 LMNA (0.46) MTNR1AMTNR1BADAMTS4LMNASMN1; SMN2
SCHEMBL19248314 0.81 LMNA (0.46) MTNR1AMTNR1BADAMTS4LMNASMN1; SMN2
SCHEMBL11569356 0.80 SMN1; SMN2 (0.49) MTNR1AMTNR1BLMNASMN1; SMN2MEN1
SCHEMBL11569642 0.78 KMT2A (0.44) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL9912493 0.76 TDP1 (0.42) MTNR1AMTNR1BLMNASMN1; SMN2TSHR
SCHEMBL4560594 0.73 MME (0.42) MTNR1AMTNR1BHTTKMT2AL3MBTL1
SCHEMBL4560596 0.73 MME (0.42) MTNR1AMTNR1BHTTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024043313-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, MICROENCAPSULATED PIGMENT USING SAID REVERSIBLE THERMOCHROMIC COMPOSITION, WRITING TOOL, AND TOY 三菱ケミカル株式会社 2024-02-29 — — WO disclosed
US-6906224-B2 Process for producing α-aminoketones AJINOMOTO CO., INC. (JP) 2005-06-14 — — US disclosed
US-20040210089-A1 Process for producing alpha-aminoketones AJINOMOTO CO., INC. (JP) 2004-10-21 — — US disclosed
US-6696571-B2 REACTING A 3-OXAZOLIDIN-5-ONE DERIVATIVE WITH A HALOMETHYL LITHIUM AND THEN TREATING WITH AN ACID AJINOMOTO CO., INC. (JP) 2004-02-24 — — US disclosed
US-20030100796-A1 Process for producing alpha-aminoketones AJINOMOTO CO., INC. (JP) 2003-05-29 — — US disclosed
US-6570039-B2 Oxazolidine compounds as chemical intermediates AJINOMOTO CO., INC. (JP) 2003-05-27 — — US disclosed
US-20020035288-A1 Process for producing alpha-aminoketones AJINOMOTO CO., INC. (JP) 2002-03-21 — — US disclosed
WO-1992022313-A1 RENIN INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1992-12-23 — — 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 (3 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-20040210089-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK MTNR1A 4694/4885MTNR1B 4003/4885ADAMTS4 3549/4885
US-20020035288-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK MTNR1A 4694/4885MTNR1B 4003/4885ADAMTS4 3549/4885
US-20030100796-A1 Process for producing alpha-aminoketones AAAS, BCKDK, KHK MTNR1A 4694/4885MTNR1B 4003/4885ADAMTS4 3549/4885

“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.

Send feedback