Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805746

SCHEMBL2805746

SCHEMBL2805746

O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ LPAR1 Q92633 4/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LPAR2 Q9HBW0 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ VCAM1 P19320 1/20 0.36
▸ POLB P06746 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
SCHEMBL2802935 0.92 MAPT (0.41) RAB9AMAPK1AKR1C3AKR1C2SMN1; SMN2
SCHEMBL12316149 0.91 KMT2A (0.41) RAB9AMAPK1AKR1C3AKR1C2SMN1; SMN2
SCHEMBL2805646 0.88 HMOX1 (0.49) SMN1; SMN2LMNALPAR1HSD11B1LPAR2
SCHEMBL2804112 0.88 KMT2A (0.44) SMN1; SMN2LMNAL3MBTL1MEN1KMT2A
SCHEMBL2808596 0.87 MEN1 (0.45) AKR1C3AKR1C2MEN1KMT2APOLB
SCHEMBL2806789 0.86 TMEM97 (0.43) AKR1C3AKR1C2SMN1; SMN2LMNATP53
SCHEMBL2807101 0.86 LMNA (0.48) AKR1C3AKR1C2SMN1; SMN2LMNALPAR1
SCHEMBL2805569 0.85 KMT2A (0.43) MEN1KMT2ATP53POLB
SCHEMBL2806857 0.84 PKM (0.48) SMN1; SMN2L3MBTL1KMT2A
SCHEMBL2804811 0.84 PKM (0.44) POLB

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 RAB9A 1240/4885MAPK1 3253/4885AKR1C3 1802/4885

“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.