SCHEMBL21145652

SCHEMBL21145652

COc1cc(Br)cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
NPC1 O15118 1/20 0.73
MITF O75030 1/20 0.73
HTT P42858 1/20 0.73
ASF1A Q9Y294 10/20 0.61
SIRT1 Q96EB6 1/20 0.59
KDM4E B2RXH2 2/20 0.58
RAB9A P51151 2/20 0.58
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 2/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.54

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
SCHEMBL21145655 1.00 MAPT (0.73) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL684649 0.94 SIRT1 (0.67) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL684953 0.84 SIRT1 (0.64) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL21192738 0.84 MAPT (0.65) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL683810 0.84 MAPT (0.65) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL684562 0.84 MAPT (0.57) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL12443277 0.82 KMT2A (0.73) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL21145646 0.80 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL684559 0.80 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11984086 0.80 HDAC3 (0.61) MAPTMEN1KMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515427-A2 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE Qingdao Primedicine Pharmaceutical Co., Ltd (CN) 2019-07-31 EP claimed
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use QINGDAO PRIMEDICINE PHARMACEUTICAL COMPANY, LTD. (CN) 2021-11-09 US disclosed
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use QINGDAO PRIMEDICINE PHARMACEUTICAL COMPANY, LTD. (CN) 2021-11-09 US disclosed
US-20190216753-A1 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE QINGDAO PRIMEDICINE PHARMACEUTICAL COMPANY, LTD. (CN) 2019-07-18 US disclosed
US-20190216753-A1 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE QINGDAO PRIMEDICINE PHARMACEUTICAL COMPANY, LTD. (CN) 2019-07-18 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 (2 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-20190216753-A1 N-METHYL-D-ASPARTATE RECEPTOR ALLOSTERIC MODULATORS AND METHODS FOR THEIR USE GRIN2A, GRIN3A, GRIN1 MAPT 695/4885MEN1 4774/4885KMT2A 585/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 MAPT 695/4885MEN1 4774/4885KMT2A 585/4885

“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.