Sugi Predict

Sugi Predict / Compounds / SCHEMBL3306325

SCHEMBL3306325

SCHEMBL3306325

Cn1c(C(=O)O)cc2c(Br)cccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.56
▸ KDM4E B2RXH2 5/20 0.47
▸ EGFR P00533 2/20 0.47
▸ RHEB Q15382 1/20 0.45
▸ SLC9A1 P19634 1/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GFER P55789 2/20 0.42
▸ PRNP P04156 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GPR3 P46089 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ SRD5A2 P31213 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
SCHEMBL8201715 0.85 SLC9A1 (0.50) MCL1KDM4EEGFRSLC9A1HSD17B10
SCHEMBL3561006 0.83 KDM4E (0.51) KDM4EEGFRSLC9A1HSD17B10ALDH1A1
SCHEMBL2276306 0.81 SLC9A1 (0.64) MCL1KDM4EEGFRRHEBSLC9A1
SCHEMBL14118716 0.81 DAO (0.54) MCL1KDM4EEGFRRHEBALDH1A1
SCHEMBL2326927 0.81 MCL1 (0.57) MCL1KDM4EEGFRRHEBSLC9A1
SCHEMBL23049612 0.81 MCL1 (0.53) MCL1KDM4EEGFRRHEBHSD17B10
SCHEMBL2324550 0.80 MCL1 (0.56) MCL1KDM4EEGFRRHEBSLC9A1
SCHEMBL19343561 0.80 MCL1 (0.56) MCL1KDM4EEGFRRHEBSLC9A1
SCHEMBL25209466 0.80 KMT2A (0.48) KDM4EEGFRHSD17B10ALDH1A1HPGD
SCHEMBL22042092 0.79 KDM4E (0.50) KDM4ESLC9A1HSD17B10ALDH1A1HPGD

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 — — US disclosed
CN-109153643-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2022-06-21 — — CN disclosed
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — US disclosed
EP-3423435-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2019-01-09 — — EP disclosed
EP-2086982-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2018-08-29 — — EP disclosed
US-9738661-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-22 — — US disclosed
US-20150266897-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2015-09-24 — — US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 — — US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 — — US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 — — US disclosed
EP-2086982-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-08-12 — — EP disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 — — WO disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 — — WO disclosed
EP-1000063-B1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-b]INDOLE-1-ACETAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SYNTHELABO (FR) 2002-10-23 — — EP disclosed
EP-1000063-A1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO 4,5-$i(b)]-INDOLE-1-ACETAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-SYNTHELABO (FR) 2000-05-17 — — EP disclosed
WO-1999006406-A1 4-OXO-3,5-DIHYDRO-4H-PYRIDAZINO[4,5-b]-INDOLE-1-ACETAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-SYNTHELABO (FR) 1999-02-11 — — 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 (6 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC MCL1 1644/4885KDM4E 2747/4885EGFR 4106/4885
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 MCL1 1/4885KDM4E 1156/4885EGFR 1422/4885
US-20150266897-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC MCL1 1644/4885KDM4E 2747/4885EGFR 4106/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 MCL1 1/4885KDM4E 1156/4885EGFR 1422/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 MCL1 1/4885KDM4E 1156/4885EGFR 1422/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 MCL1 1/4885KDM4E 1156/4885EGFR 1422/4885

“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.