SCHEMBL5176001

SCHEMBL5176001

Cc1cc(Br)c2[nH]ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.37
▸ AHR P35869 3/20 0.36
▸ CYP2A6 P11509 3/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ PIM3 Q86V86 1/20 0.34
▸ BRD4 O60885 1/20 0.32
▸ TAF1 P21675 1/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ CECR2 Q9BXF3 1/20 0.32
▸ BRD9 Q9H8M2 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAOB P27338 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MYC P01106 1/20 0.32
▸ ALDH2 P05091 1/20 0.32
▸ ALDH3A1 P30838 1/20 0.32
▸ GRM5 P41594 2/20 0.31

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
Tert-Butyl Formate SCHEMBL27601671 0.83 XDH (0.40) XDH
SCHEMBL4798726 0.78 CYP1A2 (0.40) AHRCYP2A6BRD4TAF1BRPF1
SCHEMBL8995163 0.78 AHR (0.48) CSNK2A1AHRCYP2A6NR4A2PIM3
SCHEMBL34460066 0.77 CSNK2A1 (0.38) CSNK2A1AHRCYP2A6NR4A2PIM3
SCHEMBL1137858 0.77 AHR (0.47) CSNK2A1AHRCYP2A6NR4A2PIM3
SCHEMBL985652 0.76 MEN1 (0.47) CSNK2A1AHRCYP2A6NR4A2CYP1A2
SCHEMBL860074 0.75 AHR (0.50) CSNK2A1AHRCYP2A6NR4A2BRD4
SCHEMBL15934119 0.75 TDP1 (0.38) AHRCYP2A6BRD4TAF1BRPF1
SCHEMBL22253018 0.75 SELL (0.41) XDHAHRBRD4TAF1BRPF1
SCHEMBL1397681 0.75 CSNK2A1 (0.46) CSNK2A1AHRCYP2A6NR4A2PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137639-A1 MIXED SEROTONIN RECEPTOR BINDERS FOR TREATMENT OF PSYCHOTIC DISORDERS DELIX THERAPEUTICS, INC. (US) 2025-06-26 — — 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
US-12110293-B2 Substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-10-08 — — US disclosed
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 — — US disclosed
WO-2023250157-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2023-12-28 — — WO 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
CN-112673009-B Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 — — CN disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 — — US disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 — — CN disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 — — EP disclosed
US-7109229-B2 Methods and compounds for treating proliferative diseases ELI LILLY AND COMPANY (US) 2006-09-19 — — US disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 — — WO disclosed
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 — — EP disclosed
US-20040048915-A1 Methods and compounds for treating proliferative diseases ENGLER THOMAS ALBERT (US) 2004-03-11 — — US disclosed
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 — — EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 — — 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP XDH 149/4885CSNK2A1 620/4885AHR 596/4885
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT XDH 70/4885CSNK2A1 4626/4885AHR 3895/4885
US-20040048915-A1 Methods and compounds for treating proliferative diseases CDK4, CCNI, CCNA1 XDH 2674/4885CSNK2A1 129/4885AHR 1631/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 XDH 3349/4885CSNK2A1 1113/4885AHR 752/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 XDH 3349/4885CSNK2A1 1113/4885AHR 752/4885
US-12110293-B2 Substituted triazolo quinoxaline derivatives NR3C1, NR3C2, GRK5 XDH 182/4885CSNK2A1 776/4885AHR 1241/4885

“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.

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