SCHEMBL31478060

SCHEMBL31478060

COC(=O)C(C)c1cccc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.60
PTGS2 P35354 1/20 0.60
KMT2A Q03164 2/20 0.46
MT-CO2 P00403 1/20 0.46
CPN1 P15169 1/20 0.45
CPB2 Q96IY4 1/20 0.45
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.41
DDX3X O00571 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL3402993 1.00 PTGS1 (0.60) PTGS1PTGS2KMT2AMT-CO2CPN1
SCHEMBL1000053 0.86 PTGS1 (0.45) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL9158035 0.84 KMT2A (0.47) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL9158042 0.84 KMT2A (0.47) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL6163227 0.83 SMN1; SMN2 (0.48) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL5796124 0.82 APP (0.47) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL27573545 0.82 CPN1 (0.50) PTGS1PTGS2KMT2ACPN1CPB2
SCHEMBL29484096 0.81 PTGS1 (0.62) PTGS1PTGS2KMT2AMT-CO2HPGD
SCHEMBL1653533 0.81 PTGS1 (0.62) PTGS1PTGS2KMT2AMT-CO2HPGD
SCHEMBL7806911 0.81 PTGS1 (0.62) PTGS1PTGS2KMT2AMT-CO2ADRB2

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-20250109139-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2025-04-03 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-20250109139-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF PARK7, HADH, BDNF PTGS1 1429/4885PTGS2 2669/4885KMT2A 3812/4885

“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.