Sugi Predict

Sugi Predict / Compounds / SCHEMBL3762044

SCHEMBL3762044

SCHEMBL3762044

O=C(O)c1c[nH]c2c(Br)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.50
▸ DYRK1A Q13627 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CSNK2A2 P19784 2/20 0.49
▸ CSNK2B P67870 2/20 0.49
▸ CSNK2A1 P68400 2/20 0.49
▸ PRNP P04156 1/20 0.49
▸ BRPF1 P55201 1/20 0.49
▸ DNA2 P51530 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ NR4A2 P43354 2/20 0.45
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CDK9 P50750 1/20 0.43
▸ DYRK2 Q92630 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ PIM1 P11309 1/20 0.43

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
SCHEMBL5269845 0.88 DYRK1A (0.46) KDM4EDYRK1AALDH1A1HPGDCSNK2A2
SCHEMBL14631629 0.83 DYRK1A (0.45) KDM4EDYRK1AALDH1A1HPGDBRPF1
SCHEMBL29415445 0.82 HTT (0.59) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL2811213 0.82 HTT (0.59) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL7838694 0.82 PIM3 (0.58) KDM4EDYRK1AALDH1A1BRPF1NR4A2
SCHEMBL11199520 0.82 CSNK2A2 (0.61) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL8889718 0.82 LMNA (0.56) DYRK1AALDH1A1BRPF1NR4A2HTT
SCHEMBL17113293 0.82 NR4A2 (0.70) KDM4EDYRK1AALDH1A1HPGDBRPF1
SCHEMBL10086124 0.80 HTT (0.54) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL6029970 0.79 NR4A2 (0.51) KDM4EDYRK1AALDH1A1HPGDBRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025080609-A1 ISOTRYPTAMINE TETRACYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-17 — — WO disclosed
WO-2025080608-A1 DESAMIDE ISOTRYPTAMINE TETRACYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-04-17 — — WO disclosed
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
CN-117756785-A Preparation and application of N- (pyridine-2-yl) benzo [ b ] five-membered heterocycle-3-carboxamide structure compound 江西中医药大学 2024-03-26 — — CN disclosed
US-11891386-B2 Indole compounds and their use ARIAGEN, INC. (CA) 2024-02-06 — — 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-20230145074-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2023-05-11 — — US disclosed
US-20230145074-A1 Indole Compounds and Their Use ARIAGEN, INC. (US) 2023-05-11 — — US disclosed
WO-2013014102-A1 BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG UNIVERSITE JOSEPH FOURIER (FR) 2013-01-31 — — WO disclosed
EP-2548864-A1 NOVEL BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG Université Joseph Fourier (FR) 2013-01-23 — — EP disclosed
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 — — US disclosed
WO-2009060030-A1 HETEROARYL-SUBSTITUTED 2-PYRIDINYLMETHYLAMINE DERIVATIVES Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2009-05-14 — — WO disclosed
EP-2058306-A1 Heteroaryl-substituted 2-pyridinyl-methylamine derivatives SCHWARZ PHARMA AG (DE) 2009-05-13 — — EP disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 — — EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 — — US disclosed
CN-1335850-A Quinoline derivatives SMITHKLINE BEECHMA PLC (GB) 2002-02-13 — — CN disclosed
EP-1140946-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2001-10-10 — — EP disclosed
WO-2000035919-A2 QUINOLINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-06-22 — — 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 (5 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-11891386-B2 Indole compounds and their use IDO1, IDO2, INMT KDM4E 1007/4885DYRK1A 847/4885ALDH1A1 1731/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDM4E 1156/4885DYRK1A 1867/4885ALDH1A1 2556/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885DYRK1A 1867/4885ALDH1A1 2556/4885
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D KDM4E 2386/4885DYRK1A 1162/4885ALDH1A1 1048/4885
US-20230145074-A1 Indole Compounds and Their Use IDO1, IDO2, INMT KDM4E 1007/4885DYRK1A 847/4885ALDH1A1 1731/4885

“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.