SCHEMBL17164402

SCHEMBL17164402

CSCc1cc(O)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ GALR3 O60755 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ GPR35 Q9HC97 4/20 0.39
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 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
SCHEMBL18738729 0.83 HSP90AB1 (0.37) —
SCHEMBL11640381 0.81 ALOX5 (0.45) MEN1HTTKMT2ALMNAALDH1A1
SCHEMBL18416742 0.80 HTT (0.48) MEN1HTTKMT2ALMNAALDH1A1
SCHEMBL13723487 0.79 TSHR (0.38) MEN1HTTKMT2ALMNAALDH1A1
SCHEMBL18703862 0.79 MAPT (0.50) MEN1HTTKMT2ALMNAALDH1A1
SCHEMBL13722908 0.79 CYP1A2 (0.44) MEN1HTTKMT2ALMNAALDH1A1
SCHEMBL31347504 0.78 ACHE (0.54) MEN1HTTKMT2ALMNAALDH1A1
SCHEMBL11025268 0.78 ACHE (0.54) MEN1HTTKMT2ALMNAALDH1A1
SCHEMBL15719607 0.78 LMNA (0.44) MEN1HTTKMT2ALMNAALDH1A1
SCHEMBL31347505 0.77 ALDH1A1 (0.46) MEN1HTTKMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408222-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDER VINCERX PHARMA GMBH (DE) 2024-12-12 — — US disclosed
EP-4412655-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDER Vincerx Pharma GmbH (DE) 2024-08-14 — — EP disclosed
US-11691986-B2 PTEFB inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 — — US disclosed
WO-2023057812-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDER VINCERX PHARMA GMBH (DE) 2023-04-13 — — WO disclosed
US-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2022-09-08 — — US disclosed
US-20220267353-A1 PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-25 — — US disclosed
US-11254690-B2 PTEFb inhibiting macrocyclic compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-02-22 — — US disclosed
US-11242356-B2 PTEFb inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2022-02-08 — — US disclosed
EP-3601253-B1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AG (DE) 2021-09-15 — — EP disclosed
CN-108290903-B Novel macrocyclic sulfondiimine compounds 拜耳医药股份有限公司 2021-09-03 — — CN disclosed
US-9963464-B2 Macrocyclic compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-08 — — US disclosed
WO-2017060167-A1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 — — WO disclosed
WO-2017060322-A2 PTEFB-INHIBITOR-ADC BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 — — WO disclosed
WO-2017060322-A2 PTEFB-INHIBITOR-ADC BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 — — WO disclosed
CN-106459084-A Novel macrocyclic compounds 拜耳医药股份有限公司 2017-02-22 — — CN disclosed
EP-3129387-A1 NOVEL MACROCYCLIC COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2017-02-15 — — EP disclosed
US-20170029439-A1 NOVEL MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-02 — — US disclosed
US-20170029439-A1 NOVEL MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-02 — — US disclosed
WO-2015155197-A1 NOVEL MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-15 — — WO disclosed
WO-2015155197-A1 NOVEL MACROCYCLIC COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-15 — — 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 (7 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-20170029439-A1 NOVEL MACROCYCLIC COMPOUNDS PCNA, CCNI, PKD1 MEN1 256/4885HTT 1731/4885KMT2A 4178/4885
US-11242356-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB MEN1 647/4885HTT 3326/4885KMT2A 3422/4885
US-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB MEN1 803/4885HTT 3917/4885KMT2A 3620/4885
US-11254690-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB MEN1 647/4885HTT 3326/4885KMT2A 3422/4885
US-11691986-B2 PTEFB inhibiting macrocyclic compounds PCLAF, PPIB, RHEB MEN1 647/4885HTT 3326/4885KMT2A 3422/4885
US-20240408222-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDER PTK2, PCNA, CDK4 MEN1 749/4885HTT 4516/4885KMT2A 2446/4885
US-20220267353-A1 PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PPIB, RHEB MEN1 647/4885HTT 3326/4885KMT2A 3422/4885

“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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