SCHEMBL20580653

SCHEMBL20580653

CC1Oc2ccc(C(=O)O)cc2N(Cc2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 6/20 0.51
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.47

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
SCHEMBL18580942 0.89 TSHR (0.48) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL18581192 0.89 TSHR (0.48) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL18580944 0.89 TSHR (0.48) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL21972609 0.88 KMT2A (0.57) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL18581115 0.88 HDAC6 (0.51) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL18581042 0.88 TSHR (0.52) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL21972612 0.81 TSHR (0.47) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL18581865 0.81 ALDH1A1 (0.48) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL2821928 0.79 REN (0.52) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL18593278 0.78 TSHR (0.47) MEN1KMT2AALDH1A1TSHRNPSR1

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-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2018-12-13 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-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 MEN1 3243/4885KMT2A 48/4885ALDH1A1 1338/4885

“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.