SCHEMBL2074966

SCHEMBL2074966

COc1nc2ccccc2cc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
GAA P10253 4/20 0.46
TLR8 Q9NR97 2/20 0.46
BTK Q06187 1/20 0.46
KDM4E B2RXH2 6/20 0.44
HPGD P15428 4/20 0.43
MAPT P10636 2/20 0.43
GLA P06280 1/20 0.43
ACHE P22303 1/20 0.43
STAT3 P40763 1/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ENPP2 Q13822 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
NQO2 P16083 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL29955290 1.00 ALDH1A1 (0.46) ALDH1A1GAATLR8BTKKDM4E
SCHEMBL29952789 0.85 ALDH1A1 (0.61) ALDH1A1GAATLR8KDM4EHPGD
SCHEMBL23797328 0.78 MAPT (0.37) ALDH1A1HPGDMAPTHDAC6
SCHEMBL19330205 0.78 BACE1 (0.39) L3MBTL1
SCHEMBL19353933 0.78 HRH4 (0.45) ALDH1A1KDM4EHPGDMAPTUSP2
SCHEMBL30989199 0.78 TLR8 (0.50) ALDH1A1GAATLR8BTKKDM4E
SCHEMBL16654428 0.78 ALDH1A1 (0.58) ALDH1A1GAATLR8BTKKDM4E
SCHEMBL29955947 0.78 KMT2A (0.50) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL115832 0.78 KMT2A (0.50) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL28861632 0.76 ENPP2 (0.38) ALDH1A1KDM4EENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US claimed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP claimed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 WO claimed
US-12492181-B2 Gem-disubstituted piperidine melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2025-12-09 US disclosed
EP-3876928-B1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME LLC (US) 2024-10-23 EP disclosed
CN-115335369-B GEM-disubstituted piperidine melanocortin subtype-2 receptor (MC 2R) antagonists and uses thereof 克林提克斯医药股份有限公司 2024-07-02 CN disclosed
US-20240199654-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF SUZHOU GUOKUANG PHARMTECH. CO., LTD. (CN) 2024-06-20 US disclosed
EP-4310081-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF Suzhou Guokuang Pharmtech. Co., Ltd. (CN) 2024-01-24 EP disclosed
EP-4310081-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF Suzhou Guokuang Pharmtech. Co., Ltd. (CN) 2024-01-24 EP disclosed
CN-117157284-A CTLA-4 small molecule degradation agent and application thereof 苏州国匡医药科技有限公司 2023-12-01 CN disclosed
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
WO-2010057121-A1 PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2010-05-20 WO disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
US-20080039625-A1 Screening Methods LAUTENS MARK 2008-02-14 US disclosed
EP-1817283-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF Lautens, Mark (CA) 2007-08-15 EP disclosed
WO-2006047888-A1 2-SUBSTITUTED INDOLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2006-05-11 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 ALDH1A1 422/4885GAA 456/4885TLR8 3450/4885
US-20080039625-A1 Screening Methods CBR3, ZKSCAN2, CRBN ALDH1A1 2175/4885GAA 3431/4885TLR8 2723/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A ALDH1A1 640/4885GAA 359/4885TLR8 3934/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R ALDH1A1 2971/4885GAA 1838/4885TLR8 1455/4885
US-12492181-B2 Gem-disubstituted piperidine melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC1R, MC3R, MC2R ALDH1A1 2971/4885GAA 1838/4885TLR8 1455/4885
US-20240199654-A1 CTLA-4 SMALL MOLECULE DEGRADATION AGENT AND APPLICATION THEREOF CD274, PDCD1, PDCD1LG2 ALDH1A1 526/4885GAA 912/4885TLR8 527/4885

“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.