SCHEMBL4089046

SCHEMBL4089046

Nc1cccc(-c2ccsc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
MAOA P21397 1/20 0.45
MAP4K4 O95819 3/20 0.43
ALDH1A1 P00352 1/20 0.42
RECQL P46063 2/20 0.40
BRD4 O60885 2/20 0.40
TSHR P16473 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
PSIP1 O75475 1/20 0.38
AXL P30530 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
DYRK3 O43781 1/20 0.38
CCNT1 O60563 1/20 0.38
CCNA2 P20248 1/20 0.38

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
SCHEMBL8649337 0.76 CYP2A6 (0.60) CYP2A6ALDH1A1RORB
SCHEMBL28311793 0.76 CYP2A6 (0.55) CYP2A6ALDH1A1RORB
SCHEMBL18985992 0.76 TDP1 (0.48) CYP2A6ALDH1A1TSHRCYP3A4TP53
SCHEMBL8440654 0.73 RXRA (0.54) CYP2A6MAP4K4RORB
SCHEMBL7451509 0.72 CYP2A6 (0.56) CYP2A6MAP4K4ALDH1A1CYP3A4RORB
SCHEMBL2480042 0.72 CYP3A4 (0.36) CYP2A6ALDH1A1RECQLTSHRCYP3A4
SCHEMBL3128389 0.71 CYP3A4 (0.53) CYP2A6ALDH1A1BRD4TSHRCYP3A4
SCHEMBL3363485 0.71 CYP2A6 (0.58) CYP2A6MAOAMAP4K4ALDH1A1RECQL
SCHEMBL6873402 0.71 CYP2A6 (0.42) CYP2A6MAOAALDH1A1TSHRCYP3A4
SCHEMBL2023695 0.71 MAOA (0.68) MAOAMAP4K4ALDH1A1RECQLBRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. 2009-08-13 US disclosed
WO-2007130743-A2 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2007-11-15 WO disclosed
US-7294616-B2 Capreomycin derivatives and their use as antibacterials ARRAY BIOPHARMA, INC. (US) 2007-11-13 US disclosed
WO-2006052499-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS ARRAY BIOPHARMA, INC. (US) 2006-05-18 WO disclosed
US-20060094644-A1 Capreomycin derivatives and their use as antibacterials ARRAY BIOPHARMA, INC. 2006-05-04 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 (2 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-20090203585-A1 CAPREOMYCIN DERIVATIVES AND THEIR USE AS ANTIBACTERIALS CAPRIN1, NISCH, RPIA CYP2A6 769/4885MAOA 2554/4885MAP4K4 3020/4885
US-20060094644-A1 Capreomycin derivatives and their use as antibacterials SPOUT1, CAPRIN1, FBL CYP2A6 1934/4885MAOA 1940/4885MAP4K4 2142/4885

“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.