SCHEMBL19086321

SCHEMBL19086321

N#Cc1c(-c2ccccc2)ccnc1OCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
CRHBP P24387 1/20 0.54
RAB9A P51151 1/20 0.54
CRHR2 Q13324 1/20 0.54
PTGDR2 Q9Y5Y4 5/20 0.52
PIM1 P11309 3/20 0.52
SQOR Q9Y6N5 3/20 0.50
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
ATM Q13315 1/20 0.43
HPGD P15428 1/20 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
SCHEMBL19086309 0.84 SQOR (0.71) MEN1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL3076231 0.81 ALDH1A1 (0.66) MEN1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL29442320 0.74 SQOR (0.70) MEN1KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL11193270 0.73 MEN1 (0.52) MEN1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL15303617 0.73 KDM4E (0.50) ALDH1A1PTGDR2KDM4EHPGD
SCHEMBL8560357 0.72 ALDH1A1 (0.51) MEN1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL7219981 0.72 ALDH1A1 (0.61) MEN1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL27544440 0.72 ALDH1A1 (0.61) MEN1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL29442261 0.71 SQOR (0.69) MEN1KMT2AALDH1A1MAPTCRHBP
SCHEMBL22208266 0.71 SQOR (0.69) MEN1KMT2AALDH1A1MAPTCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-17 US disclosed
US-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-17 US disclosed
EP-3400213-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2018-11-14 EP disclosed
WO-2017118762-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2017-07-13 WO disclosed
WO-2017118762-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2017-07-13 WO disclosed
EP-3190103-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2017-07-12 EP disclosed
EP-3190103-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2017-07-12 EP 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-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION PDCD1, CD274, PDCD1LG2 MEN1 3279/4885KMT2A 3304/4885ALDH1A1 895/4885

“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.