SCHEMBL5866934

SCHEMBL5866934

ON=C(Nc1ccccc1)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 1/20 0.47
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.42

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
SCHEMBL5866920 0.91 MAPT (0.45) BCAT1TSHRMAPTLMNAHPGD
SCHEMBL5866919 0.91 MAPT (0.45) BCAT1TSHRMAPTLMNAHPGD
SCHEMBL5867065 0.84 NPC1 (0.63) TSHRMAPTLMNAHPGDALOX15
SCHEMBL5867026 0.81 NPC1 (0.71) BCAT1TSHRMAPTLMNANPC1
SCHEMBL5866763 0.81 MAOB (0.56) BCAT1TSHRMAPTHPGDNPC1
SCHEMBL5867017 0.79 F12 (0.58) MAPTLMNAHPGDHTTNPC1
SCHEMBL5866852 0.78 MAOB (0.60) TSHRMAPTNPC1RAB9ATP53
SCHEMBL5866855 0.78 MAOB (0.60) TSHRMAPTNPC1RAB9ATP53
SCHEMBL5866846 0.77 MEN1 (0.52) MAPTLMNANPC1RAB9ASMN1; SMN2
SCHEMBL5866847 0.77 MEN1 (0.52) MAPTLMNANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270651-A1 ANTIBACTERIAL AGENTS AMGEN INC. (US) 2006-11-30 US disclosed
US-7053234-B2 Antibacterial agents AMGEN INC. (US) 2006-05-30 US disclosed
US-20040235911-A1 hydroxyamidines; antibiotic resistance TULARIK INC. 2004-11-25 US disclosed
US-6780858-B2 Antibacterial agents TULARIK INC. 2004-08-24 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-20040235911-A1 hydroxyamidines; antibiotic resistance HNMT, HDHD5, ABCC1 BCAT1 48/4885TSHR 2569/4885MAPT 3987/4885
US-20060270651-A1 ANTIBACTERIAL AGENTS MRPL21, HDHD5, CLPP BCAT1 346/4885TSHR 3830/4885MAPT 4113/4885

“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.