SCHEMBL2802765

SCHEMBL2802765

O=S(=O)(c1cccc2nonc12)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 4/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MET P08581 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM1 P11229 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
SCHEMBL2805271 0.85 MAPK1 (0.61) ALDH1A1KMT2AMEN1POLBMAPK1
SCHEMBL2804081 0.81 HTR6 (0.53) KMT2ALMNASMN1; SMN2TSHRMET
SCHEMBL2805150 0.80 ALOX5AP (0.39) KMT2AMEN1MAPK1LMNAL3MBTL1
SCHEMBL2802866 0.80 KMT2A (0.55) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL2803967 0.80 HTR6 (0.43) ALDH1A1KMT2AMEN1MAPK1LMNA
SCHEMBL2803593 0.80 MAPK1 (0.46) KMT2AMEN1POLBMAPK1LMNA
SCHEMBL2806437 0.80 ESR1 (0.39) ALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL2809144 0.79 HTR6 (0.43) LMNASMN1; SMN2MET
SCHEMBL2803134 0.79 HTR6 (0.43) KMT2AMEN1MAPK1LMNASMN1; SMN2
SCHEMBL2808972 0.78 KMT2A (0.48) ALDH1A1KMT2AMEN1LMNAMAPT

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 ALDH1A1 460/4885KMT2A 1795/4885MEN1 1822/4885

“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.