SCHEMBL20138424

SCHEMBL20138424

COc1ccc(N=Nc2ccccc2COC(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.43
KMT2A Q03164 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MEN1 O00255 4/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 8/20 0.42
PTGS2 P35354 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MAPK1 P28482 5/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 4/20 0.40
NOS3 P29474 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL286872 0.86 IDE (0.43) KMT2AL3MBTL1MEN1MAPTRAB9A
SCHEMBL164746 0.82 SMN1; SMN2 (0.46) KMT2AL3MBTL1MEN1POLBMAPT
SCHEMBL158284 0.80 ALDH1A1 (0.49) HDAC1KMT2APOLBMAPTPTGS2
SCHEMBL1539603 0.80 ALDH1A1 (0.49) HDAC1KMT2APOLBMAPTPTGS2
SCHEMBL6549408 0.78 MEN1 (0.43) HDAC1KMT2AL3MBTL1MEN1POLB
SCHEMBL22468464 0.76 KMT2A (0.48) KMT2AL3MBTL1MEN1MAPTRAB9A
SCHEMBL22468465 0.76 KMT2A (0.48) KMT2AL3MBTL1MEN1MAPTRAB9A
SCHEMBL18603212 0.74 SMN1; SMN2 (0.45) HDAC1MAPTPTGS2LMNAKDM4E
SCHEMBL30733598 0.72 LMNA (0.46) KMT2AL3MBTL1MEN1MAPTRAB9A
SCHEMBL29054163 0.72 IDE (0.67) HDAC1KMT2AL3MBTL1MEN1POLB

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-20180135134-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH CORTISTATIN DERIVATIVES PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-17 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-20180135134-A1 TARGETED SELECTION OF PATIENTS FOR TREATMENT WITH CORTISTATIN DERIVATIVES RUNX1, CTTN, CBFB HDAC1 963/4885KMT2A 2359/4885L3MBTL1 3562/4885

“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.