SCHEMBL22397698

SCHEMBL22397698

CC(NC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.68
KCNH2 Q12809 9/20 0.68
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 1/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL19689654 0.85 IDO1 (0.64) IDO1KCNH2KMT2AMEN1ALDH1A1
SCHEMBL23494348 0.83 IDO1 (0.70) IDO1KCNH2HDAC1HDAC6KMT2A
SCHEMBL22397608 0.83 IDO1 (0.70) IDO1KCNH2HDAC1HDAC6KMT2A
SCHEMBL23494437 0.83 IDO1 (0.70) IDO1KCNH2HDAC1HDAC6KMT2A
SCHEMBL22397683 0.81 IDO1 (1.00) IDO1KCNH2HDAC1HDAC6KMT2A
SCHEMBL23494507 0.80 IDO1 (0.68) IDO1KCNH2
SCHEMBL22482270 0.80 PDK1 (0.57) IDO1KCNH2ALDH1A1HTTKDM4E
SCHEMBL4948953 0.80 NOTUM (0.55) HDAC1HDAC6KMT2AMEN1KDM4E
SCHEMBL6626997 0.78 MPO (0.49) IDO1KCNH2KMT2AMEN1ALDH1A1
SCHEMBL22397439 0.78 KDM4E (0.52) IDO1KCNH2KMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3703692-B1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-23 EP disclosed
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-15 US disclosed
US-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-17 US disclosed
EP-3703692-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-09 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-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885KCNH2 3836/4885HDAC1 91/4885
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT IDO1 1/4885KCNH2 3707/4885HDAC1 104/4885

“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.