SCHEMBL26416650

SCHEMBL26416650

Cc1nn(C)c(Oc2cccc(C(C)C)c2)c1C=O

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.70
CYP2C19 P33261 2/20 0.70
CYP2C9 P11712 1/20 0.70
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.40
PTGER4 P35408 2/20 0.39
CASP1 P29466 1/20 0.38
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
PTGS1 P23219 1/20 0.35
FAAH O00519 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL24861769 0.84 CYP1A2 (0.50) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL3637019 0.82 CYP1A2 (1.00) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL24162675 0.82 CYP1A2 (0.73) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL9672301 0.81 SMN1; SMN2 (0.74) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL26416648 0.79 KDM4E (0.58) CYP1A2CYP2C19CYP2C9LMNAPTGER4
SCHEMBL876603 0.75 SMN1; SMN2 (0.73) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL9673792 0.74 SMN1; SMN2 (0.76) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL24861830 0.74 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL9673128 0.73 SMN1; SMN2 (0.74) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA
SCHEMBL2071589 0.73 SMN1; SMN2 (1.00) CYP1A2CYP2C19CYP2C9SMN1; SMN2LMNA

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-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 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-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION PTGER4, PTGER3, PTGER2 CYP1A2 395/4885CYP2C19 948/4885CYP2C9 875/4885

“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.