SCHEMBL2804004

SCHEMBL2804004

Cc1noc(C)c1S(=O)(=O)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
BRD4 O60885 9/20 0.34
BRD2 P25440 7/20 0.34
BRD3 Q15059 7/20 0.34
GFER P55789 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL2802723 0.83 PAK1 (0.37) ALDH1A1KMT2AMEN1LMNANR3C1
SCHEMBL2803956 0.80 MAPK8 (0.36) SMN1; SMN2LMNA
SCHEMBL2804951 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL2803977 0.79 TBXA2R (0.38) ALDH1A1
SCHEMBL2804416 0.79 RB1 (0.37) LMNAMAPT
SCHEMBL2803941 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2807827 0.78 PAK1 (0.36) NR1H2ALDH1A1KMT2ALMNAMAPT
SCHEMBL2804986 0.78 PDE4B (0.35) ALDH1A1
SCHEMBL2809138 0.78 MEN1 (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL2803517 0.78 RB1 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 NR1H2 1229/4885ALDH1A1 460/4885KMT2A 1795/4885

“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.