SCHEMBL24497236

SCHEMBL24497236

Nc1nc(CC(=O)N[C@@H]2C(=O)N3C(C(O)O)=C(CSc4ccccc4)CSC23)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CA5A P35218 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ NR1I2 O75469 4/20 0.40
▸ PGR P06401 3/20 0.40
▸ PPARG P37231 2/20 0.40
▸ SLC22A6 Q4U2R8 2/20 0.40
▸ SLC22A8 Q8TCC7 2/20 0.40
▸ SLC22A11 Q9NSA0 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ DUSP3 P51452 1/20 0.40

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
SCHEMBL23051121 0.89 TDP1 (0.66) TDP1LMNAHSD17B10L3MBTL1KMT2A
SCHEMBL24497311 0.84 MAPK1 (0.55) TDP1LMNAHSD17B10L3MBTL1KMT2A
SCHEMBL25938280 0.78 LMNA (0.58) TDP1LMNAHSD17B10KMT2AKDM4E
SCHEMBL11371552 0.76 TDP1 (0.61) TDP1LMNAHSD17B10L3MBTL1KMT2A
SCHEMBL11371549 0.76 TDP1 (0.61) TDP1LMNAHSD17B10L3MBTL1KMT2A
SCHEMBL11183181 0.76 TDP1 (0.68) TDP1LMNAHSD17B10L3MBTL1KMT2A
SCHEMBL11183173 0.76 TDP1 (0.68) TDP1LMNAHSD17B10L3MBTL1KMT2A
SCHEMBL8867984 0.76 TDP1 (0.68) TDP1LMNAHSD17B10L3MBTL1KMT2A
SCHEMBL8867974 0.76 TDP1 (0.68) TDP1LMNAHSD17B10L3MBTL1KMT2A
SCHEMBL10735409 0.76 LMNA (0.67) TDP1LMNAHSD17B10L3MBTL1KMT2A

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-20220177947-A1 Compounds to Identify Beta-Lactamases, and Methods of Use Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-06-09 — — 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-20220177947-A1 Compounds to Identify Beta-Lactamases, and Methods of Use Thereof GUSB, GLB1, MGAM TDP1 1470/4885LMNA 403/4885HSD17B10 242/4885

“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.

Send feedback