SCHEMBL26501656

SCHEMBL26501656

Cc1ccc(CCc2ccc(C(C)C)nc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
PANK3 Q9H999 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL22454243 0.80 PDE10A (0.43) MEN1LMNAKMT2APANK3SMN1; SMN2
SCHEMBL26501718 0.79 PANK3 (0.35) MEN1LMNAKMT2APANK3
SCHEMBL26501678 0.79 PANK3 (0.42) MEN1LMNAKMT2APANK3TSHR
SCHEMBL26501648 0.78 DHFR (0.47) MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL18500836 0.77 TSHR (0.31) TSHRSMN1; SMN2GAA
SCHEMBL22662254 0.74 CYP1A2 (0.55) LMNATSHRSMN1; SMN2
SCHEMBL5515445 0.73 SMN1; SMN2 (0.41) MEN1LMNAKMT2APANK3TSHR
SCHEMBL20932917 0.72 ESR1 (0.39) MEN1LMNAKMT2APANK3TSHR
SCHEMBL27779353 0.72 ESR1 (0.39) MEN1LMNAKMT2APANK3TSHR
SCHEMBL12185864 0.72 ESR1 (0.42) MEN1LMNAKMT2APANK3TSHR

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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 MEN1 2263/4885LMNA 1621/4885KMT2A 1296/4885

“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.