SCHEMBL6429154

SCHEMBL6429154

COc1ccc(CNC(=O)c2ccc(Br)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 1.00
HPGD P15428 7/20 1.00
KMT2A Q03164 5/20 0.71
MEN1 O00255 3/20 0.71
SMN1; SMN2 Q16637 5/20 0.68
RAB9A P51151 4/20 0.68
MAPT P10636 3/20 0.68
NPC1 O15118 3/20 0.68
LMNA P02545 2/20 0.68
PKM P14618 1/20 0.68
THRB P10828 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
HSD17B10 Q99714 1/20 0.65
TSHR P16473 1/20 0.60
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.57
HTT P42858 1/20 0.57
POLB P06746 1/20 0.56
EPHX2 P34913 1/20 0.55

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
SCHEMBL430687 0.81 HPGD (1.00) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL7159563 0.80 ALDH1A1 (1.00) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL6427573 0.79 LMNA (0.73) ALDH1A1HPGDKMT2AMEN1RAB9A
SCHEMBL8790687 0.78 ALDH1A1 (0.67) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL1448060 0.78 ALDH1A1 (0.67) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL11761142 0.78 NPC1 (0.82) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL9416606 0.78 NPC1 (0.82) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL24426002 0.78 ALDH1A1 (0.76) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL3215052 0.77 ALDH1A1 (0.75) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL26644596 0.77 ALDH1A1 (0.68) ALDH1A1HPGDKMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 US disclosed
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 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-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 ALDH1A1 2116/4885HPGD 660/4885KMT2A 2545/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 ALDH1A1 2819/4885HPGD 632/4885KMT2A 2476/4885

“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.