SCHEMBL2808103

SCHEMBL2808103

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.49
TBXA2R P21731 3/20 0.39
PLAU P00749 1/20 0.37
LMNA P02545 1/20 0.37
PNMT P11086 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RB1 P06400 1/20 0.36
KMT2A Q03164 1/20 0.36
TBXAS1 P24557 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PAK1 Q13153 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL2804144 0.91 TBXA2R (0.42) HDAC8TBXA2RPLAULMNATBXAS1
SCHEMBL2804187 0.89 CYP3A4 (0.44) HDAC8TBXA2RPLAULMNAPNMT
SCHEMBL2804752 0.87 HDAC8 (0.50) HDAC8TBXA2RTBXAS1HDAC6
SCHEMBL2803941 0.87 ALDH1A1 (0.49) HDAC8TBXA2RLMNAPNMTSMN1; SMN2
SCHEMBL2807111 0.86 KMT2A (0.50) HDAC8TBXA2RLMNAPNMTRB1
SCHEMBL2805609 0.85 SGK1 (0.44) HDAC8
SCHEMBL2805699 0.85 RB1 (0.52) HDAC8TBXA2RRB1PAK1
SCHEMBL2804951 0.85 ALDH1A1 (0.44) TBXA2RSMN1; SMN2RB1TBXAS1ALDH1A1
SCHEMBL2803517 0.85 RB1 (0.40) HDAC8TBXA2RPNMTSMN1; SMN2RB1
SCHEMBL2489862 0.84 RB1 (0.43) HDAC8TBXA2RLMNAPNMTSMN1; 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 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 HDAC8 615/4885TBXA2R 947/4885PLAU 4662/4885

“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.