SCHEMBL20522004

SCHEMBL20522004

COC(=O)CCCCOc1cc(CSC)cc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ KMT2A Q03164 6/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ P2RY12 Q9H244 2/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL28108700 0.88 PPARA (0.42) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL17164338 0.86 MAPT (0.43) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL17164357 0.85 CHRNB4 (0.37) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL21854579 0.84 MAPT (0.37) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL17164367 0.84 S1PR4 (0.38) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL20521342 0.82 MEN1 (0.39) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL20521343 0.82 MEN1 (0.39) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL18703334 0.81 MAPT (0.43) MAPTLMNAMEN1KMT2ANPC1
SCHEMBL20521493 0.81 MAPT (0.37) MAPTLMNANPC1ALDH1A1
SCHEMBL20448215 0.79 MAPT (0.38) MAPTLMNAMEN1KMT2ANPC1

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 13 patents. 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-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

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-11242356-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB MAPT 4662/4885LMNA 2531/4885MEN1 647/4885
US-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB MAPT 4687/4885LMNA 3066/4885MEN1 803/4885
US-20200347079-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB MAPT 4687/4885LMNA 3066/4885MEN1 803/4885
US-11254690-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB MAPT 4662/4885LMNA 2531/4885MEN1 647/4885
US-20200123174-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB MAPT 4687/4885LMNA 3066/4885MEN1 803/4885
US-11691986-B2 PTEFB inhibiting macrocyclic compounds PCLAF, PPIB, RHEB MAPT 4662/4885LMNA 2531/4885MEN1 647/4885
US-20220267353-A1 PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PPIB, RHEB MAPT 4662/4885LMNA 2531/4885MEN1 647/4885

“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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