SCHEMBL21145696

SCHEMBL21145696

CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2ccccc2OC)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
PTGES O14684 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL21145698 1.00 IDO1 (0.53) IDO1PTGESSMN1; SMN2ALDH1A1TDP1
SCHEMBL21145737 0.89 PTK6 (0.48) PTGESSMN1; SMN2ALDH1A1TDP1POLB
SCHEMBL21145735 0.89 PTK6 (0.48) PTGESSMN1; SMN2ALDH1A1TDP1POLB
SCHEMBL21145724 0.89 ATM (0.62) SMN1; SMN2ALDH1A1TDP1POLBMEN1
SCHEMBL21145727 0.89 ATM (0.62) SMN1; SMN2ALDH1A1TDP1POLBMEN1
SCHEMBL21145676 0.88 KDM4E (0.52) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL21145677 0.88 KDM4E (0.52) ALDH1A1TDP1POLBMEN1KMT2A
SCHEMBL21145691 0.86 LMNA (0.52) TDP1POLBMEN1KMT2AMAPT
SCHEMBL21145702 0.86 KDM4E (0.52) SMN1; SMN2ALDH1A1TDP1POLBMEN1
SCHEMBL21145700 0.86 KDM4E (0.52) SMN1; SMN2ALDH1A1TDP1POLBMEN1

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 IDO1 2520/4885PTGES 1244/4885SMN1; SMN2 951/4885
US-11166924-B2 N-methyl-d-aspartate receptor allosteric modulators and methods for their use GRIN2A, GRIN3A, GRIN1 IDO1 2520/4885PTGES 1244/4885SMN1; SMN2 951/4885

“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.