SCHEMBL20239588

SCHEMBL20239588

CCCOc1cn(-c2ccccc2)nc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.44
DGAT1 O75907 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTSA P10619 1/20 0.42
TP53 P04637 2/20 0.41

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
SCHEMBL20239610 0.81 KMT2A (0.70) NPC1RAB9AKMT2AMEN1CYP2C9
SCHEMBL27862487 0.78 PKM (0.43) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL176297 0.77 NPC1 (0.57) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL21799368 0.74 NPC1 (0.39) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL14974553 0.74 KMT2A (0.61) NPC1RAB9AKMT2AMEN1CYP2C9
SCHEMBL4302959 0.72 CYP2C9 (0.56) NPC1RAB9AKMT2AMEN1CYP2C9
SCHEMBL21799396 0.72 SGMS2 (0.49) KMT2AMEN1ALDH1A1NPSR1
SCHEMBL2276390 0.72 PTPN1 (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL20026799 0.71 NPC1 (0.39) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL68334 0.71 ALDH1A1 (0.58) NPC1RAB9AKMT2AMEN1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251047-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2022-08-11 US disclosed
US-20190112275-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2019-04-18 US disclosed
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2018-06-14 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 (3 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-20190112275-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 NPC1 379/4885RAB9A 4076/4885KMT2A 3137/4885
US-20220251047-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 NPC1 379/4885RAB9A 4076/4885KMT2A 3137/4885
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 NPC1 379/4885RAB9A 4076/4885KMT2A 3137/4885

“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.