SCHEMBL2542902

SCHEMBL2542902

CCOC(=O)CCNc1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.56
ERBB3 P21860 1/20 0.56
ALDH1A1 P00352 5/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 6/20 0.51
GAA P10253 1/20 0.50
TOP2A P11388 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 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
SCHEMBL2535177 0.92 EGFR (0.54) EGFRERBB3ALDH1A1HPGDMAPT
SCHEMBL16793988 0.87 SMN1; SMN2 (0.52) ALDH1A1HPGDMAPTGAASMN1; SMN2
SCHEMBL9752202 0.85 CYP1A2 (0.59) ALDH1A1MAPTGAATOP2ATP53
SCHEMBL7565590 0.85 ALDH1A1 (0.54) EGFRERBB3ALDH1A1HPGDMAPT
SCHEMBL9832154 0.85 CYP1A2 (0.46) EGFRERBB3ALDH1A1HPGDMAPT
SCHEMBL2702706 0.84 NPC1 (0.53) ALDH1A1MAPTTOP2ASMN1; SMN2LMNA
SCHEMBL10654010 0.83 TOP2A (0.48) EGFRERBB3ALDH1A1MAPTTOP2A
Hydrochloric Acid SCHEMBL6225430 0.83 NPC1 (0.52) ALDH1A1MAPTTOP2ASMN1; SMN2LMNA
SCHEMBL1751588 0.83 MAPT (0.56) EGFRALDH1A1MAPTGAATOP2A
SCHEMBL9831233 0.82 MAPT (0.54) ALDH1A1HPGDMAPTGAATOP2A

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-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 US disclosed
EP-1697343-B1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2009-07-01 EP disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 US disclosed
EP-1697343-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION Tibotec Pharmaceuticals Ltd. (IE) 2006-09-06 EP disclosed
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 WO 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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 EGFR 3077/4885ERBB3 2428/4885ALDH1A1 1319/4885

“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.