SCHEMBL10222831

SCHEMBL10222831

CC(=O)NCc1cc2cc(N)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MTNR1A P48039 5/20 0.50
▸ MTNR1B P49286 4/20 0.50
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ VCP P55072 1/20 0.39
▸ IDO1 P14902 1/20 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
SCHEMBL18361830 0.82 KDM4E (0.52) MAPTKDM4EALDH1A1SMN1; SMN2MTNR1A
SCHEMBL13415981 0.80 MTNR1A (0.73) MAPTKDM4EALDH1A1SMN1; SMN2MTNR1A
SCHEMBL28083588 0.76 CYP2A6 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2MTNR1A
SCHEMBL30765591 0.75 NAMPT (0.48) MAPTKDM4EALDH1A1SMN1; SMN2MTNR1A
SCHEMBL28696939 0.75 SIRT1 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL10173099 0.75 KDM4E (0.42) MAPTKDM4EALDH1A1SMN1; SMN2MTNR1A
SCHEMBL3578511 0.74 CYP2A6 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL6252581 0.74 CYP2A6 (0.58) MAPTKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL15623133 0.74 CYP2A6 (0.50) MAPTKDM4EALDH1A1SMN1; SMN2MTNR1A
SCHEMBL28028062 0.74 HPGD (0.52) MAPTALDH1A1MTNR1AMTNR1BCYP2A6

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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 — — US disclosed
WO-2010111483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2010-09-30 — — WO 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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 MAPT 4456/4885KDM4E 3780/4885ALDH1A1 2400/4885

“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.

Send feedback