SCHEMBL25199161

SCHEMBL25199161

Cc1cc(C(N)=O)ccc1OCCN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.51
MAPK1 P28482 1/20 0.49
ESR1 P03372 1/20 0.48
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KCNH2 Q12809 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
PLAU P00749 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL4684232 0.87 MAPK1 (0.49) MAPK1THRATHRBKCNH2SLC6A2
SCHEMBL27661001 0.87 MRGPRX4 (0.49) MAPK1ESR1THRATHRBPLAU
SCHEMBL25211177 0.87 MAPK1 (0.51) MAPK1THRATHRBKCNH2SLC6A2
SCHEMBL4687532 0.86 MAPK1 (0.48) MAPK1THRATHRBKCNH2SLC6A2
Ammonia Solution, Strong SCHEMBL2145610 0.86 MRGPRX4 (0.48) MAPK1ESR1THRATHRBPLAU
SCHEMBL4842935 0.84 TDP1 (0.52) ESR1TAS1R3TAS1R1PLAUALDH1A1
Hydrochloric Acid SCHEMBL4842924 0.83 TDP1 (0.51) TOP2AESR1TAS1R3TAS1R1PLAU
SCHEMBL8424777 0.78 MAPK1 (0.60) MAPK1TAS1R3TAS1R1HTTALDH1A1
SCHEMBL17664161 0.77 ESR1 (0.53) MAPK1ESR1THRATHRBKCNH2
SCHEMBL6329015 0.77 KDM4E (0.43) TOP2AMAPK1THRATHRBKCNH2

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-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF KANGBAIDA (SICHUAN) BIOTECHNOLOGY CO., LTD. (CN) 2023-06-01 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-20230165867-A1 IMIDAZOLIDINONE DERIVATIVES AND MEDICAL USE THEREOF SYMPK, PAICS, CYP2C9 TOP2A 1629/4885MAPK1 1665/4885ESR1 3573/4885

“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.