SCHEMBL11956569

SCHEMBL11956569

COC(=O)c1cccc(NC(=O)CN(C)C)c1N

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
TSHR P16473 5/20 0.53
POLB P06746 1/20 0.49
BDKRB1 P46663 1/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 4/20 0.47
MEN1 O00255 1/20 0.46
MAPK10 P53779 3/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.46
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 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
Hydrochloric Acid SCHEMBL7141652 0.84 KMT2A (0.71) KMT2ATSHRPOLBKDM4EALDH1A1
SCHEMBL937773 0.83 KMT2A (0.45) KMT2ATSHRPOLBKDM4EALDH1A1
SCHEMBL15808796 0.83 KDM4E (0.58) KMT2ATSHRPOLBBDKRB1KDM4E
SCHEMBL25063201 0.82 ALDH1A1 (0.56) KMT2ATSHRPOLBBDKRB1KDM4E
SCHEMBL20594648 0.80 ALDH1A1 (0.75) KMT2ATSHRPOLBKDM4EALDH1A1
SCHEMBL11888762 0.78 KDM4E (0.55) KMT2ATSHRPOLBKDM4EALDH1A1
SCHEMBL28696161 0.78 KDM4E (0.51) KMT2ATSHRPOLBKDM4EALDH1A1
SCHEMBL11888764 0.77 KDM4E (0.58) KMT2ATSHRPOLBKDM4EALDH1A1
SCHEMBL11888766 0.76 KDM4E (0.56) KMT2ATSHRPOLBKDM4EALDH1A1
SCHEMBL18950889 0.76 HSD17B10 (0.55) KMT2ATSHRPOLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 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-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 KMT2A 3434/4885TSHR 1370/4885POLB 3273/4885

“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.