SCHEMBL21040482

SCHEMBL21040482

CS(=O)(=O)c1cccc(CSc2nnc(-c3cccc(-c4cccc(CSc5nnc(-c6cc7ccccc7o6)o5)c4)c3)o2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPC1 O15118 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 4/20 0.48
TSHR P16473 3/20 0.48
GAA P10253 2/20 0.48
USP2 O75604 1/20 0.48
EGFR P00533 2/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL16157098 0.83 EGFR (0.65) SMN1; SMN2RAB9AHPGDL3MBTL1NPC1
SCHEMBL16157019 0.81 NPC1 (0.68) SMN1; SMN2RAB9AHPGDL3MBTL1NPC1
SCHEMBL16157058 0.78 NPC1 (0.61) SMN1; SMN2RAB9AHPGDL3MBTL1NPC1
SCHEMBL16157031 0.71 EGFR (0.70) SMN1; SMN2RAB9AHPGDL3MBTL1NPC1
SCHEMBL16157084 0.71 EGFR (0.70) SMN1; SMN2RAB9AHPGDL3MBTL1NPC1
SCHEMBL6954402 0.67 BCHE (0.56) NPSR1ALDH1A1
SCHEMBL14603763 0.67 GSK3B (0.80) SMN1; SMN2RAB9AHPGDL3MBTL1NPC1
SCHEMBL16157024 0.67 NPC1 (1.00) SMN1; SMN2RAB9AHPGDL3MBTL1NPC1
SCHEMBL14553085 0.67 NPC1 (0.85) SMN1; SMN2RAB9AHPGDL3MBTL1NPC1
SCHEMBL29051282 0.67 NPC1 (0.40) SMN1; SMN2RAB9AHPGDNPC1CYP1A2

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-10301294-B2 Compounds for the treatment of tuberculosis The Broad Institute Inc. (US) 2019-05-28 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-10301294-B2 Compounds for the treatment of tuberculosis GOT2, G6PD, FNTB SMN1; SMN2 4593/4885RAB9A 3054/4885HPGD 382/4885

“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.