SCHEMBL22397606

SCHEMBL22397606

O=C(O)NCc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.80
KCNH2 Q12809 4/20 0.80
LMNA P02545 6/20 0.56
TP53 P04637 5/20 0.55
THRB P10828 1/20 0.53
POLB P06746 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52

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
SCHEMBL31492881 0.92 IDO1 (0.90) IDO1KCNH2LMNATP53THRB
SCHEMBL22397378 0.92 IDO1 (0.90) IDO1KCNH2LMNATP53THRB
SCHEMBL22397379 0.89 IDO1 (1.00) IDO1KCNH2LMNATP53THRB
SCHEMBL31492922 0.86 IDO1 (0.72) IDO1KCNH2LMNATP53THRB
SCHEMBL22397381 0.86 IDO1 (0.72) IDO1KCNH2LMNATP53THRB
SCHEMBL23520113 0.86 IDO1 (0.71) IDO1KCNH2LMNATP53THRB
SCHEMBL25780435 0.85 IDO1 (0.90) IDO1KCNH2LMNATP53THRB
SCHEMBL22397554 0.85 IDO1 (0.70) IDO1KCNH2LMNATP53HDAC1
SCHEMBL22397560 0.85 IDO1 (0.72) IDO1KCNH2LMNATP53THRB
SCHEMBL22397373 0.85 IDO1 (0.72) IDO1KCNH2LMNATP53THRB

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
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 (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-20210179607-A1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885KCNH2 3836/4885LMNA 4652/4885

“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.