SCHEMBL29318141

SCHEMBL29318141

COc1ccc(-c2cnnc(COc3ccc(C)cc3)c2)cc1C1CC1C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.35
PTGER4 P35408 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
ALOX5AP P20292 9/20 0.33
CTSA P10619 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
PPARD Q03181 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL29318145 0.89 ALOX5AP (0.39) PTGER4ALOX5APCTSAPPARD
SCHEMBL29318148 0.87 HTR2C (0.36) HTR2CLMNAPKMCTSAPOLB
SCHEMBL29318132 0.86 HTR2C (0.37) HTR2CAAK1
SCHEMBL29318135 0.86 HTR2C (0.37) HTR2CAAK1
SCHEMBL29318127 0.82 POLB (0.37) HTR2CLMNAPKMPOLBHPGD
SCHEMBL29318149 0.82 AAK1 (0.36) HTR2CAAK1
SCHEMBL23441547 0.81 ALOX5AP (0.42) ALOX5APCTSAPPARD
SCHEMBL23441545 0.81 ALOX5AP (0.42) ALOX5APCTSAPPARD
SCHEMBL29318139 0.80 AAK1 (0.38) HTR2CLMNAAAK1
SCHEMBL29318121 0.77 HTR2C (0.35) HTR2CAAK1HPGD

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 HTR2C 1761/4885PTGER4 2402/4885LMNA 2672/4885

“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.