SCHEMBL24176302

SCHEMBL24176302

Cc1ccccc1CCn1c(-c2ccccc2C)n[nH]c1=S

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
PKM P14618 1/20 0.60
KDM4E B2RXH2 3/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GFER P55789 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
GLA P06280 1/20 0.49
APOBEC3G Q9HC16 1/20 0.47
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL21951968 0.86 ALDH1A1 (0.60) ALDH1A1PKMKDM4EALOX15HSD17B10
SCHEMBL21951961 0.85 GLO1 (0.53) ALDH1A1PKMKDM4EALOX15HSD17B10
SCHEMBL8978522 0.81 ALDH1A1 (0.73) ALDH1A1PKMKDM4EHSD17B10GFER
SCHEMBL8978544 0.76 ALDH1A1 (1.00) ALDH1A1PKMKDM4EALOX15HSD17B10
SCHEMBL24176313 0.76 HAGH (0.73) ALDH1A1PKMKDM4EALOX15HSD17B10
SCHEMBL8978574 0.71 ALDH1A1 (0.68) ALDH1A1PKMKDM4EHSD17B10GFER
SCHEMBL13983883 0.71 ALDH1A1 (0.68) ALDH1A1PKMKDM4EALOX15HSD17B10
SCHEMBL8978554 0.70 TDP1 (0.56) ALDH1A1PKMKDM4EALOX15HSD17B10
SCHEMBL24176022 0.70 TDP1 (0.51) ALDH1A1KDM4EALOX15HSD17B10GFER
SCHEMBL21964209 0.69 ALDH1A1 (0.64) ALDH1A1PKMKDM4EALOX15HSD17B10

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-20220000841-A1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIVERSITÉ DE MONTPELLIER (FR) 2022-01-06 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-20220000841-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, LCT, MGAM2 ALDH1A1 547/4885PKM 2542/4885KDM4E 3014/4885

“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.