SCHEMBL17189671

SCHEMBL17189671

CC(=O)[C@@H](N)Cc1ccc2[nH]c3ccccc3c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.51
▸ GAA P10253 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ P2RY12 Q9H244 2/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ GLA P06280 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ CTSV O60911 3/20 0.44
▸ CTSL P07711 3/20 0.44

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
SCHEMBL30107598 0.90 MEN1 (0.51) KMT2AGAAMEN1POLBNPC1
SCHEMBL21690442 0.90 MEN1 (0.51) KMT2AGAAMEN1POLBNPC1
SCHEMBL26793178 0.90 MEN1 (0.51) KMT2AGAAMEN1POLBNPC1
SCHEMBL31370415 0.80 SLC7A5 (0.54) KMT2AMEN1TDP1KDM4EALDH1A1
SCHEMBL1733848 0.80 SLC7A5 (0.54) KMT2AMEN1TDP1KDM4EALDH1A1
SCHEMBL12154974 0.80 SLC7A5 (0.54) KMT2AMEN1TDP1KDM4EALDH1A1
SCHEMBL17189672 0.77 MAOA (0.41) NPC1P2RY12HPGDLMNAMAOA
SCHEMBL12718130 0.77 NPC1 (0.47) KMT2AGAAMEN1POLBNPC1
SCHEMBL23786255 0.76 MEN1 (0.58) KMT2AGAAMEN1POLBNPC1
SCHEMBL14922493 0.75 KIF11 (0.66) KMT2AGAAMEN1POLBNPC1

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
US-9969773-B2 Polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2018-05-15 — — US disclosed
US-9969773-B2 Polymers, pharmaceutical compositions and methods of synthesizing the same NEW YORK UNIVERSITY (US) 2018-05-15 — — US disclosed
US-20150299254-A1 NOVEL POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME NEW YORK UNIVERSITY 2015-10-22 — — US disclosed
US-20150299254-A1 NOVEL POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME NEW YORK UNIVERSITY 2015-10-22 — — 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-20150299254-A1 NOVEL POLYMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF SYNTHESIZING THE SAME PAICS, F12, CYP2C19 KMT2A 4448/4885GAA 228/4885MEN1 1936/4885

“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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