SCHEMBL29318409

SCHEMBL29318409

COc1ccc(-c2cnnc(OCc3ccc(C)cc3)c2)cc1C1CC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
LTC4S Q16873 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
HTR2C P28335 2/20 0.38
APP P05067 2/20 0.37
XDH P47989 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL23441591 0.88 FFAR4 (0.48) FFAR4CSF1RFFAR1
SCHEMBL23441592 0.88 FFAR4 (0.48) FFAR4CSF1RFFAR1
SCHEMBL29318155 0.84 CA1 (0.40) LTC4SCA1CA2CA9CA12
SCHEMBL29318130 0.84 PTGS2 (0.42) LTC4SCA1CA2CA9CA12
SCHEMBL29318397 0.84 LTC4S (0.38) GABRG2GABRB3GABRA5GABRA3LTC4S
SCHEMBL29318145 0.84 ALOX5AP (0.39) PTGER4FFAR4
SCHEMBL29318119 0.82 HTR2C (0.37) LTC4SCA1CA2CA9CA12
SCHEMBL29318117 0.82 HTR2C (0.37) LTC4SCA1CA2CA9CA12
SCHEMBL23441518 0.79 LTC4S (0.36) LTC4SHTR2CFFAR4FFAR1
SCHEMBL23441519 0.79 LTC4S (0.36) LTC4SHTR2CFFAR4FFAR1

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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2024-07-18 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-20240239756-A1 NOVEL 3, 5-DISUBSTITUTED PYRIDINE AND 3, 5-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND PHARMACEUTICAL USE OF SAME ENPP2, SSB, PLPBP GABRG2 3591/4885GABRB3 3817/4885GABRA5 2089/4885

“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.