Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803968

SCHEMBL2803968

SCHEMBL2803968

CC(=O)Nc1ccc(S(=O)(=O)NC2CCc3c(cnc4[nH]ncc34)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ GAA P10253 1/20 0.46
▸ GFER P55789 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TBXA2R P21731 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ GRM4 Q14833 1/20 0.38
▸ 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
SCHEMBL2803517 0.86 RB1 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL2804951 0.86 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TSHRTBXA2RKDM4E
SCHEMBL2805699 0.84 RB1 (0.52) TBXA2R
SCHEMBL2489862 0.84 RB1 (0.43) GAASMN1; SMN2ALDH1A1TBXA2RCA1
SCHEMBL2803976 0.83 TBXA2R (0.42) GAAALDH1A1TBXA2RCA1CA2
SCHEMBL2804624 0.83 KIT (0.42) KMT2AMEN1GAAALDH1A1TBXA2R
SCHEMBL2803941 0.82 ALDH1A1 (0.49) GAASMN1; SMN2ALDH1A1TBXA2RPOLB
SCHEMBL2806129 0.82 KCNH2 (0.41) TBXA2R
SCHEMBL2808103 0.80 HDAC8 (0.49) KMT2ASMN1; SMN2ALDH1A1TBXA2R
SCHEMBL2807111 0.80 KMT2A (0.50) KMT2AGAAALDH1A1HPGDTSHR

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 KMT2A 1795/4885MEN1 1822/4885GAA 997/4885

“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.