SCHEMBL13477486

SCHEMBL13477486

O=C1N[C@@H](c2ccc(Cl)cc2Cl)Cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HTT P42858 4/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
TNKS2 Q9H2K2 3/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 2/20 0.43
DYRK1A Q13627 1/20 0.42
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL28599110 0.79 HTT (0.53) TSHRHTTKDM4EGAASMN1; SMN2
SCHEMBL19085276 0.75 TSHR (0.51) TSHRKDM4ELMNACYP1A2TNKS2
SCHEMBL29458467 0.74 TSHR (0.57) TSHRKDM4ECYP1A2TNKS2ALDH1A1
SCHEMBL28600852 0.72 HTT (0.43) HTTKDM4EGAASMN1; SMN2LMNA
SCHEMBL6124153 0.68 TSHR (0.53) TSHRLMNATNKS2ALDH1A1MAPT
SCHEMBL10146718 0.68 MAPT (0.63) HTTKDM4EGAASMN1; SMN2LMNA
SCHEMBL11809118 0.67 RAB9A (0.56) TSHRHTTKDM4EGAASMN1; SMN2
SCHEMBL14458002 0.67 SRD5A1 (0.52) TSHRHTTKDM4EGAASMN1; SMN2
SCHEMBL13477423 0.67 CASP6 (0.41) TSHRHTTKDM4EGAASMN1; SMN2
SCHEMBL2376720 0.67 KDM4E (0.54) TSHRKDM4EGAASMN1; SMN2ALDH1A1

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-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 US disclosed
EP-2149561-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-02-03 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 (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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 TSHR 974/4885HTT 1525/4885KDM4E 4440/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 TSHR 974/4885HTT 1525/4885KDM4E 4440/4885

“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.