SCHEMBL4901823

SCHEMBL4901823

CNC(=O)CC(CSc1ccccc1)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
PLA2G10 O15496 3/20 0.48
PLA2G2A P14555 3/20 0.46
ATM Q13315 1/20 0.41
SLC6A3 Q01959 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MMP1 P03956 1/20 0.39
FCER2 P06734 1/20 0.39
ADAM17 P78536 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
FFAR1 O14842 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
SCHEMBL14067148 0.82 CTRB1 (0.50) MTNR1AMTNR1BPLA2G10PLA2G2AATM
SCHEMBL3590845 0.81 MTNR1A (0.49) MTNR1AMTNR1BPLA2G10PLA2G2AL3MBTL1
SCHEMBL553506 0.81 MTNR1A (0.49) MTNR1AMTNR1BPLA2G10PLA2G2AL3MBTL1
SCHEMBL8212610 0.80 PLA2G10 (0.50) MTNR1AMTNR1BPLA2G10PLA2G2AL3MBTL1
SCHEMBL22409485 0.79 MTNR1A (0.50) MTNR1AMTNR1BPLA2G10PLA2G2AL3MBTL1
SCHEMBL21179176 0.79 MTNR1A (0.50) MTNR1AMTNR1BPLA2G10PLA2G2AL3MBTL1
SCHEMBL1540158 0.79 MAOA (0.50) MTNR1AMTNR1BPLA2G10ATMSLC6A3
SCHEMBL4905285 0.79 MAOA (0.50) MTNR1AMTNR1BPLA2G10ATMSLC6A3
SCHEMBL1540157 0.79 MTNR1A (0.49) MTNR1AMTNR1BPLA2G10PLA2G2AATM
SCHEMBL2950983 0.78 MTNR1A (0.51) MTNR1AMTNR1BPLA2G10PLA2G2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 MTNR1A 3457/4885MTNR1B 3760/4885PLA2G10 4296/4885

“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.