SCHEMBL9719005

SCHEMBL9719005

CCNC(=O)NC(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MCL1 Q07820 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FAAH O00519 1/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
ALDH1A1 P00352 6/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL11657670 0.83 MEN1 (0.46) KMT2AMEN1MCL1SMN1; SMN2ALDH1A1
SCHEMBL13285456 0.80 ALDH1A1 (0.39) KMT2AMEN1MCL1NPC1RAB9A
SCHEMBL4076701 0.80 SMN1; SMN2 (0.41) KMT2AMEN1MCL1NPC1RAB9A
SCHEMBL4075839 0.80 NPC1 (0.37) KMT2AMEN1MCL1NPC1RAB9A
SCHEMBL196214 0.80 EPHX1 (0.50) KMT2AMEN1MCL1ALDH1A1MMP1
SCHEMBL21654722 0.78 MEN1 (0.39) KMT2AMEN1SMN1; SMN2CYP2C9
SCHEMBL95875 0.77
SCHEMBL25543214 0.77 CACNA1C (0.37) KMT2AMEN1MCL1NPC1RAB9A
SCHEMBL10578591 0.77 ALDH1A1 (0.44) KMT2AMEN1MCL1FAAHSMN1; SMN2
SCHEMBL28207364 0.77 MEN1 (0.43) KMT2AMEN1MAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2017-08-03 US disclosed
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 US disclosed
US-5171482-A SILICONE COMPOSITION WHICH DOES NOT CAUSE FAULTY CONDUCTION AT ELECTRICAL CONTACTS, AND METHOD FOR PREVENTING CONDUCTION FAULTS DOW CORNING TORAY SILICONE CO., LTD (JP) 1992-12-15 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 (2 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-20170216332-A1 SMALL MOLECULE ANTI-SCARRING AGENTS COLGALT1, MMP1, FIBP KMT2A 3498/4885MEN1 4453/4885MCL1 3057/4885
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 KMT2A 1636/4885MEN1 3974/4885MCL1 1631/4885

“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.