Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805646

SCHEMBL2805646

SCHEMBL2805646

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMOX1 P09601 1/20 0.49
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HSD11B1 P28845 5/20 0.41
▸ LPAR1 Q92633 2/20 0.39
▸ LPAR2 Q9HBW0 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ ATM Q13315 1/20 0.37

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
SCHEMBL2805746 0.88 RAB9A (0.41) MEN1KMT2APOLBLMNASMN1; SMN2
SCHEMBL12316149 0.86 KMT2A (0.41) MEN1KMT2APOLBLMNATSHR
SCHEMBL2804283 0.85 ALDH1A1 (0.50) MAPTMEN1KMT2ALMNATSHR
SCHEMBL2802935 0.85 MAPT (0.41) MAPTMEN1KMT2APOLBLMNA
SCHEMBL2804077 0.84 HDAC6 (0.47) HSD11B1ALDH1A1
SCHEMBL2804112 0.83 KMT2A (0.44) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2802461 0.83 KDM4E (0.46) LMNASMN1; SMN2HSD11B1CYP2C19HTT
SCHEMBL2805569 0.82 KMT2A (0.43) HMOX1MAPTMEN1KMT2APOLB
SCHEMBL2806857 0.82 PKM (0.48) MAPTKMT2ATSHRSMN1; SMN2HSD17B10
SCHEMBL2808596 0.82 MEN1 (0.45) MEN1KMT2APOLBALDH1A1

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 HMOX1 593/4885MAPT 3332/4885MEN1 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.