SCHEMBL13392956

SCHEMBL13392956

Nc1c(C(=O)Nc2ccc(Br)cc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.84
MEN1 O00255 6/20 0.84
KMT2A Q03164 6/20 0.84
MAPT P10636 5/20 0.84
NPSR1 Q6W5P4 5/20 0.84
LMNA P02545 4/20 0.81
KDM4E B2RXH2 3/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
EEF2K O00418 9/20 0.71
HTT P42858 2/20 0.69
HSD17B10 Q99714 2/20 0.67
USP2 O75604 1/20 0.67
PTK2B Q14289 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HPGD P15428 3/20 0.57
THRB P10828 1/20 0.57
ALOX12 P18054 1/20 0.57
MCL1 Q07820 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
SAE1 Q9UBE0 1/20 0.57

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
SCHEMBL13186407 0.91 ALDH1A1 (0.86) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL14969506 0.90 ALDH1A1 (0.97) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL13186408 0.90 KMT2A (0.86) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL18537648 0.90 ALDH1A1 (0.88) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL14969396 0.89 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL426340 0.87 MEN1 (0.80) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL18819112 0.86 KMT2A (0.81) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL427662 0.86 MEN1 (0.80) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL15788371 0.86 ALDH1A1 (0.81) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL13186401 0.84 MAPT (0.65) ALDH1A1MEN1KMT2AMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-7645881-B2 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication PTC THERAPEUTICS, INC. (US) 2010-01-12 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-20100099672-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 539/4885MEN1 4824/4885KMT2A 4029/4885

“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.