SCHEMBL22397642

SCHEMBL22397642

O=C(O)NCc1ccc2c(c1)CCCN2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 3/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
MASP2 O00187 1/20 0.47
F2 P00734 1/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9538852 0.87 PPID (0.55) PPIDKDM4EMAPTMASP2F2
SCHEMBL23520112 0.81 PPID (0.50) PPIDKDM4EMAPTMASP2F2
SCHEMBL5778832 0.81 KDM4E (0.60) PPIDKDM4EMAPTCA12CA1
SCHEMBL31285975 0.81 KDM4E (0.60) PPIDKDM4EMAPTCA12CA1
SCHEMBL7392253 0.78 KDM4E (0.57) PPIDKDM4EMAPTCA12CA1
SCHEMBL6981710 0.78 KDM4E (0.60) KDM4EMAPTMASP2F2ALDH1A1
SCHEMBL15967767 0.77 METAP2 (0.49) ALDH1A1
SCHEMBL1670746 0.77 MAPT (0.54) PPIDKDM4EMAPTMASP2F2
SCHEMBL12324832 0.76 MAPT (0.53) PPIDKDM4EMAPTCA12CA1
SCHEMBL11418216 0.76 PPARG (0.48) PPIDKDM4EMAPTMASP2F2

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 PPID 1776/4885KDM4E 1226/4885MAPT 1407/4885

“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.