SCHEMBL2563448

SCHEMBL2563448

O=C(NCc1ccccc1)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.83
ANPEP P15144 2/20 0.75
ATM Q13315 2/20 0.73
GAA P10253 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.64
NAALAD2 Q9Y3Q0 1/20 0.63
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 1/20 0.59
ITGB3 P05106 1/20 0.59
ITGAV P06756 1/20 0.59
PSMB5 P28074 1/20 0.59
FPR2 P25090 5/20 0.58

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
SCHEMBL8022139 1.00 ALDH1A1 (0.83) ALDH1A1ANPEPATMGAAL3MBTL1
SCHEMBL9554537 0.94 ALDH1A1 (0.80) ALDH1A1ANPEPATMGAAL3MBTL1
SCHEMBL6943290 0.91 ATM (0.79) ALDH1A1ANPEPATMGAAL3MBTL1
SCHEMBL6943285 0.91 ATM (0.79) ALDH1A1ANPEPATMGAAL3MBTL1
SCHEMBL18180178 0.88 NAALAD2 (0.78) ALDH1A1L3MBTL1NAALAD2MEN1KMT2A
SCHEMBL19969196 0.88 NAALAD2 (0.78) ALDH1A1L3MBTL1NAALAD2MEN1KMT2A
SCHEMBL10429991 0.87 LMNA (0.67) ALDH1A1ANPEPATMGAAL3MBTL1
SCHEMBL28839600 0.87 ALDH1A1 (0.65) ALDH1A1ANPEPATMGAAL3MBTL1
SCHEMBL28839601 0.87 ALDH1A1 (0.65) ALDH1A1ANPEPATMGAAL3MBTL1
SCHEMBL7448015 0.86 ALDH1A1 (0.68) ALDH1A1ANPEPATMGAAL3MBTL1

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
EP-2560949-B1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE LSD1 AND/OR LSD2 UNIVERSIT DEGLI STUDI DI ROMA LA SAPIENZA (IT) 2015-12-02 EP disclosed
US-8765820-B2 Tranylcypromine derivatives as inhibitors of histone demethylases LSD1 and/or LSD2 Universita Degli Studi Di Roma “La Sapienza” (IT) 2014-07-01 US disclosed
US-8765820-B2 Tranylcypromine derivatives as inhibitors of histone demethylases LSD1 and/or LSD2 Universita Degli Studi Di Roma “La Sapienza” (IT) 2014-07-01 US disclosed
EP-2560949-A1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE LSD1 AND/OR LSD2 Università degli Studi di Roma "La Sapienza" (IT) 2013-02-27 EP disclosed
US-20130035377-A1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASES LSD1 AND/OR LSD2 UNIVERSITÀ DEGLI STUDI DI ROMA "LA SAPIENZA" (IT) 2013-02-07 US disclosed
US-20130035377-A1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASES LSD1 AND/OR LSD2 UNIVERSITÀ DEGLI STUDI DI ROMA "LA SAPIENZA" (IT) 2013-02-07 US disclosed
WO-2011131576-A1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASE LSD1 AND/OR LSD2 UNIVERSITÀ DEGLI STUDI DI ROMA "LA SAPIENZA" (IT) 2011-10-27 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-20130035377-A1 TRANYLCYPROMINE DERIVATIVES AS INHIBITORS OF HISTONE DEMETHYLASES LSD1 AND/OR LSD2 KDM1B, KDM2A, KDM3A ALDH1A1 1165/4885ANPEP 2501/4885ATM 3894/4885

“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.