SCHEMBL2807101

SCHEMBL2807101

CC(=O)Nc1ccc(S(=O)(=O)N2CCc3c(cnc4[nH]ncc34)C2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.46
PDK1 Q15118 3/20 0.43
PDK2 Q15119 3/20 0.43
PDK3 Q15120 3/20 0.43
PDK4 Q16654 3/20 0.43
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
LPAR1 Q92633 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
KMT2A Q03164 2/20 0.41
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL2802935 0.86 MAPT (0.41) LMNASMN1; SMN2ALDH1A1KMT2AAKR1C3
SCHEMBL2805746 0.86 RAB9A (0.41) LMNASMN1; SMN2LPAR1LPAR2KMT2A
SCHEMBL2808998 0.85 SMN1; SMN2 (0.57) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL12316149 0.83 KMT2A (0.41) LMNASMN1; SMN2ALDH1A1KMT2AAKR1C3
SCHEMBL2804112 0.81 KMT2A (0.44) LMNASMN1; SMN2KMT2AMEN1MAPT
SCHEMBL2808596 0.80 MEN1 (0.45) ALDH1A1KMT2AAKR1C3AKR1C2MEN1
SCHEMBL2805646 0.79 HMOX1 (0.49) LMNASMN1; SMN2ALDH1A1LPAR1LPAR2
SCHEMBL2804811 0.79 PKM (0.44) ALDH1A1HTT
SCHEMBL2806789 0.79 TMEM97 (0.43) LMNASMN1; SMN2AKR1C3AKR1C2MAPT
SCHEMBL2805569 0.78 KMT2A (0.43) KMT2AMEN1MAPT

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 LMNA 1591/4885SMN1; SMN2 1523/4885ALDH1A1 460/4885

“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.