SCHEMBL31492832

SCHEMBL31492832

CC(C)CC(=O)N1CCCc2cc(CNC(=O)c3ccc(Cl)c(Cl)c3)ccc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.82
KCNH2 Q12809 3/20 0.82
TP53 P04637 5/20 0.51
THRB P10828 2/20 0.51
EPHX2 P34913 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HPGD P15428 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45

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
SCHEMBL22397423 1.00 IDO1 (0.82) IDO1KCNH2TP53THRBEPHX2
SCHEMBL22397395 0.93 IDO1 (0.80) IDO1KCNH2TP53THRBLMNA
SCHEMBL23494480 0.92 IDO1 (0.78) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397728 0.90 IDO1 (1.00) IDO1KCNH2TP53THRBLMNA
SCHEMBL31492883 0.89 IDO1 (0.85) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397475 0.89 IDO1 (0.85) IDO1KCNH2TP53THRBLMNA
SCHEMBL31492865 0.88 IDO1 (0.81) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397691 0.88 IDO1 (0.81) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397390 0.87 IDO1 (0.84) IDO1KCNH2TP53THRBLMNA
SCHEMBL22397590 0.87 IDO1 (0.79) IDO1KCNH2TP53THRBLMNA

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 2 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 claimed
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-15 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 (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-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT IDO1 1/4885KCNH2 3707/4885TP53 1456/4885

“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.