SCHEMBL22984308

SCHEMBL22984308

COC1Cc2cc(CNC(=O)c3c(C)nc4sc(C)cn34)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CHRM4 P08173 1/20 0.36
SLC8A1 P32418 5/20 0.36
RAB9A P51151 1/20 0.34

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
SCHEMBL22984363 0.85 HTT (0.42) HTTSMN1; SMN2LMNAL3MBTL1PKM
SCHEMBL18642291 0.83 SMN1; SMN2 (0.51) HTTSMN1; SMN2LMNAL3MBTL1PKM
SCHEMBL18642142 0.81 CHRM4 (0.54) HTTSMN1; SMN2LMNAL3MBTL1PKM
SCHEMBL22984280 0.80 LMNA (0.44) HTTSMN1; SMN2LMNAL3MBTL1PKM
SCHEMBL22984316 0.80 CHRM4 (0.49) HTTSMN1; SMN2LMNAL3MBTL1PKM
SCHEMBL22984269 0.79 HTT (0.46) HTTSMN1; SMN2LMNAL3MBTL1PKM
SCHEMBL22984255 0.78 HTT (0.42) HTTSMN1; SMN2LMNAL3MBTL1PKM
SCHEMBL22984330 0.78 HTT (0.47) HTTSMN1; SMN2LMNAL3MBTL1PKM
SCHEMBL16945294 0.78 HTT (0.48) HTTSMN1; SMN2LMNAL3MBTL1PKM
SCHEMBL22984371 0.78 HTT (0.48) HTTSMN1; SMN2LMNAL3MBTL1PKM

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-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-02-16 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-10919888-B2 Benzyl amine-containing heterocyclic compounds and compositions useful against mycobacterial infection BET1, BRD4, BRD3 HTT 4525/4885SMN1; SMN2 3362/4885LMNA 1620/4885

“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.