Sugi Predict

Sugi Predict / Compounds / SCHEMBL2486484

SCHEMBL2486484

SCHEMBL2486484

O=S(=O)(c1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ FAAH O00519 1/20 0.46
▸ ESR2 Q92731 1/20 0.44
▸ AKR1C3 P42330 7/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ AKR1C1 Q04828 2/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ F12 P00748 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
SCHEMBL2804112 0.89 KMT2A (0.44) MEN1KMT2AMAPTSMN1; SMN2PKM
SCHEMBL2804811 0.89 PKM (0.44) ALDH1A1PKMPOLB
SCHEMBL2803231 0.89 MEN1 (0.51) MEN1KMT2AFAAHKDM4EMAPT
SCHEMBL2808596 0.87 MEN1 (0.45) MEN1KMT2AAKR1C3ALDH1A1AKR1C1
SCHEMBL2805055 0.87 AKR1C3 (0.44) MEN1KMT2AFAAHAKR1C3AKR1C1
SCHEMBL2805056 0.87 AKR1C3 (0.44) MEN1KMT2AAKR1C3SMN1; SMN2AKR1C1
SCHEMBL2803516 0.86 HSD11B1 (0.40) ALDH1A1PKM
SCHEMBL2802910 0.86 PKM (0.52) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2804077 0.86 HDAC6 (0.47) KDM4EALDH1A1
SCHEMBL2806316 0.85 AKR1C3 (0.46) MEN1KMT2AAKR1C3AKR1C1SCN9A

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 9 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
EP-2379551-A1 SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 — — EP 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
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 1795/4885FAAH 3078/4885

“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.