SCHEMBL18211672

SCHEMBL18211672

CC(C)(C)C(=O)NNC(=O)c1ccccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 7/20 0.49
HSD17B10 Q99714 2/20 0.49
CFTR P13569 1/20 0.49
POLB P06746 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 3/20 0.45
PTGS1 P23219 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
P2RX1 P51575 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 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
SCHEMBL9921278 0.85 KDM4E (0.60) KDM4EMAPTKMT2AALDH1A1HSD17B10
SCHEMBL6374418 0.81 KDM4E (0.50) KDM4EMAPTKMT2AALDH1A1HSD17B10
SCHEMBL6634684 0.81 CA1 (0.59) KDM4EKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL6366964 0.80 ALDH1A1 (0.53) KDM4EMAPTKMT2AALDH1A1HSD17B10
SCHEMBL30385607 0.80 KDM4E (0.55) KDM4EMAPTKMT2AALDH1A1HSD17B10
SCHEMBL17934538 0.79 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10CFTRPOLB
SCHEMBL9254644 0.78 ALDH1A1 (0.55) KDM4EMAPTKMT2AALDH1A1HSD17B10
SCHEMBL7591469 0.77 ALDH1A1 (0.53) KDM4EMAPTKMT2AALDH1A1HSD17B10
SCHEMBL6638197 0.77 PLK1 (0.60) MAPTKMT2AALDH1A1GAASMN1; SMN2
SCHEMBL1382593 0.77 KDM4E (0.60) KDM4EMAPTKMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-10 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-20160326157-A1 MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE MGAM, BPGM, MRPL21 KDM4E 3287/4885MAPT 1912/4885KMT2A 1504/4885

“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.