SCHEMBL23901711

SCHEMBL23901711

CCCOc1ccc(S)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
CSNK2A1 P68400 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL12889916 0.81 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL9945954 0.81 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL9945953 0.79 HTR2A (0.46) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL12356963 0.79 MAPT (0.48) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL7015786 0.77 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL282553 0.76 POLB (0.43) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4810585 0.76 GLA (0.46) MAPTMEN1KMT2APOLBCYP2C19
SCHEMBL23665186 0.76 L3MBTL1 (0.43) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2903384 0.74 L3MBTL1 (0.55) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL12889914 0.72 CALM1 (0.42) ALDH1A1MAPTMEN1KMT2AHTT

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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-10-07 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-20210309641-A1 AMIDINES AND AMIDINE ANALOGS FOR THE TREATMENT OF BACTERIAL INFECTIONS AND POTENTIATION ANTIBIOTICS PAM, AMPD1, AMPD3 ALDH1A1 4745/4885MAPT 4279/4885MEN1 574/4885

“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.