SCHEMBL2808596

SCHEMBL2808596

O=S(=O)(c1cccc(Cl)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
AKR1C3 P42330 9/20 0.44
AKR1C1 Q04828 3/20 0.44
AKR1C2 P52895 2/20 0.44
RPS6KB1 P23443 1/20 0.43
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 5/20 0.42
POLB P06746 1/20 0.40
MMP2 P08253 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
SCHEMBL2806789 0.89 TMEM97 (0.43) AKR1C3AKR1C1AKR1C2RPS6KB1
SCHEMBL2805056 0.88 AKR1C3 (0.44) MEN1KMT2AAKR1C3AKR1C1AKR1C2
SCHEMBL2805055 0.88 AKR1C3 (0.44) MEN1KMT2AAKR1C3AKR1C1AKR1C2
SCHEMBL2804112 0.87 KMT2A (0.44) MEN1KMT2A
SCHEMBL2486484 0.87 MEN1 (0.51) MEN1KMT2AALDH1A1AKR1C3AKR1C1
SCHEMBL2805746 0.87 RAB9A (0.41) MEN1KMT2AAKR1C3AKR1C2POLB
SCHEMBL2806316 0.85 AKR1C3 (0.46) MEN1KMT2AAKR1C3AKR1C1AKR1C2
SCHEMBL2802461 0.85 KDM4E (0.46) PPARGPPARDPPARA
SCHEMBL2804355 0.85 AKR1C3 (0.47) ALDH1A1AKR1C3
SCHEMBL2802935 0.85 MAPT (0.41) MEN1KMT2AALDH1A1AKR1C3AKR1C2

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 MEN1 1822/4885KMT2A 1795/4885ALDH1A1 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.