Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806936

SCHEMBL2806936

SCHEMBL2806936

O=S(=O)(c1ccc(Cl)s1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TSHR P16473 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ PSEN1 P49768 4/20 0.38
▸ PSEN2 P49810 4/20 0.38
▸ APH1B Q8WW43 4/20 0.38
▸ NCSTN Q92542 4/20 0.38
▸ APH1A Q96BI3 4/20 0.38
▸ PSENEN Q9NZ42 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 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
SCHEMBL2805764 0.82 PKM (0.45) L3MBTL1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2804968 0.82 TSHR (0.54) L3MBTL1SMN1; SMN2MAPK1TSHRPKM
SCHEMBL2804112 0.82 KMT2A (0.44) L3MBTL1LMNASMN1; SMN2PKMPSEN1
SCHEMBL2805453 0.81 MET (0.46) LMNASMN1; SMN2SCN9AGAA
SCHEMBL2802509 0.80 F10 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2803967 0.80 HTR6 (0.43) L3MBTL1LMNASMN1; SMN2MAPK1TSHR
SCHEMBL2806789 0.80 TMEM97 (0.43) LMNASMN1; SMN2MAPTSCN9A
SCHEMBL2486484 0.79 MEN1 (0.51) SMN1; SMN2PKMALDH1A1MAPTPOLB
SCHEMBL2805746 0.79 RAB9A (0.41) L3MBTL1LMNASMN1; SMN2MAPK1POLB
SCHEMBL2808596 0.78 MEN1 (0.45) ALDH1A1POLB

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 6 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

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 L3MBTL1 4308/4885CYP1A2 904/4885CYP2D6 251/4885

“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.