SCHEMBL17164367

SCHEMBL17164367

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ LMNA P02545 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL17164357 0.96 CHRNB4 (0.37) S1PR4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21854579 0.95 MAPT (0.37) S1PR4CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL18738841 0.88 CNR1 (0.31) —
SCHEMBL18703334 0.86 MAPT (0.43) S1PR4CHRNB2CHRNA4MEN1KMT2A
SCHEMBL20448215 0.84 MAPT (0.38) S1PR4CHRNB2CHRNA4MEN1KMT2A
SCHEMBL18738859 0.84 CNR1 (0.32) —
SCHEMBL20522004 0.84 MAPT (0.39) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL28108700 0.84 PPARA (0.42) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL20521493 0.83 MAPT (0.37) S1PR4CHRNB2CHRNA4KCNH2LMNA
SCHEMBL17164338 0.82 MAPT (0.43) MEN1KMT2AL3MBTL1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691986-B2 PTEFB inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 — — US 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
US-20200347079-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-11-05 — — US disclosed
US-20200123174-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-04-23 — — US disclosed
EP-3601236-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS Bayer Aktiengesellschaft (DE) 2020-02-05 — — EP disclosed
EP-3601253-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS Bayer Aktiengesellschaft (DE) 2020-02-05 — — EP disclosed
WO-2018177899-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2018-10-04 — — WO disclosed
WO-2018177889-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2018-10-04 — — WO disclosed
US-9963464-B2 Macrocyclic compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-08 — — US 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
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 (8 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 S1PR4 3767/4885CHRNB2 4863/4885CHRNA4 4884/4885
US-11242356-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB S1PR4 3456/4885CHRNB2 4858/4885CHRNA4 4885/4885
US-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB S1PR4 3819/4885CHRNB2 4849/4885CHRNA4 4884/4885
US-20200347079-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB S1PR4 3819/4885CHRNB2 4849/4885CHRNA4 4884/4885
US-11254690-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB S1PR4 3456/4885CHRNB2 4858/4885CHRNA4 4885/4885
US-20200123174-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB S1PR4 3819/4885CHRNB2 4849/4885CHRNA4 4884/4885
US-11691986-B2 PTEFB inhibiting macrocyclic compounds PCLAF, PPIB, RHEB S1PR4 3456/4885CHRNB2 4858/4885CHRNA4 4885/4885
US-20220267353-A1 PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PPIB, RHEB S1PR4 3456/4885CHRNB2 4858/4885CHRNA4 4885/4885

“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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