SCHEMBL14133607

SCHEMBL14133607

COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=S)cc1N=O

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.84
MAPT P10636 9/20 0.84
LMNA P02545 6/20 0.84
ALOX12 P18054 2/20 0.84
TDP1 Q9NUW8 1/20 0.67
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
MAPK1 P28482 2/20 0.59
POLB P06746 2/20 0.59
MITF O75030 1/20 0.59
GAA P10253 3/20 0.58
HTT P42858 2/20 0.58
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.55
RECQL P46063 1/20 0.53

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
SCHEMBL14132900 0.76 MAPT (0.64) KDM4EMAPTLMNAALOX12KMT2A
SCHEMBL14133209 0.76 LMNA (0.80) KDM4EMAPTLMNAALOX12KMT2A
SCHEMBL14146880 0.76 MAPT (0.66) KDM4EMAPTLMNAALOX12TDP1
SCHEMBL14133130 0.74 MEN1 (0.69) KDM4EMAPTLMNAALOX12TDP1
SCHEMBL14133357 0.74 MEN1 (0.60) MAPTLMNAKMT2AMEN1MAPK1
SCHEMBL14146882 0.74 KDM4E (0.70) KDM4EMAPTLMNAALOX12TDP1
SCHEMBL14133200 0.72 LMNA (1.00) KDM4EMAPTLMNAALOX12KMT2A
SCHEMBL11255270 0.72 KMT2A (0.73) KDM4EMAPTLMNAALOX12TDP1
SCHEMBL14133199 0.72 LMNA (0.85) KDM4EMAPTLMNAALOX12KMT2A
SCHEMBL14132615 0.72 KDM4E (0.67) KDM4EMAPTLMNAALOX12TDP1

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-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 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-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders NRAS, HRAS, KRAS KDM4E 3950/4885MAPT 2885/4885LMNA 3225/4885

“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.