SCHEMBL4064577

SCHEMBL4064577

Cc1ccccc1CNC(=O)[CH]Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.64
GAA P10253 2/20 0.64
ALDH1A1 P00352 4/20 0.58
HPGD P15428 3/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.52
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PPARG P37231 1/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL4068050 0.85 HTT (0.58) KMT2AGAAALDH1A1HPGDKDM4E
SCHEMBL4073041 0.82 ALDH1A1 (0.62) KMT2AGAAALDH1A1HPGDLMNA
SCHEMBL2017132 0.78 ALDH1A1 (0.73) KMT2AGAAALDH1A1HPGDKDM4E
SCHEMBL9113880 0.78 KMT2A (1.00) KMT2AGAAALDH1A1HPGDKDM4E
SCHEMBL9113884 0.78 KMT2A (1.00) KMT2AGAAALDH1A1HPGDKDM4E
SCHEMBL5082541 0.78 KMT2A (0.67) KMT2AGAAALDH1A1HPGDKDM4E
SCHEMBL7749862 0.77 KMT2A (0.46) KMT2AGAAALDH1A1HPGDLMNA
SCHEMBL28509657 0.76 ALDH1A1 (0.72) KMT2AGAAALDH1A1HPGDKDM4E
SCHEMBL4064682 0.75 HPGD (0.59) KMT2AALDH1A1HPGDKDM4EHTT
SCHEMBL22412505 0.75 CYP2C9 (0.49) KMT2AGAAALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-20040259890-A1 Spiro compounds MSD K.K. (JP) 2004-12-23 US disclosed
EP-1415986-A1 SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP 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-20040259890-A1 Spiro compounds OPRD1, PER2, OPRK1 KMT2A 1273/4885GAA 2357/4885ALDH1A1 1250/4885

“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.