SCHEMBL22491375

SCHEMBL22491375

COc1ccc([C@@H](c2ccncc2)C2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ LMNA P02545 3/20 0.49
▸ MGLL Q99685 1/20 0.49
▸ NAMPT P43490 1/20 0.42
▸ NR3C2 P08235 8/20 0.42
▸ NR3C1 P04150 4/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ PGR P06401 2/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 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
SCHEMBL22491349 1.00 ALDH1A1 (0.51) ALDH1A1POLBMAPTLMNAMGLL
SCHEMBL29734606 1.00 ALDH1A1 (0.51) ALDH1A1POLBMAPTLMNAMGLL
SCHEMBL29734482 1.00 ALDH1A1 (0.51) ALDH1A1POLBMAPTLMNAMGLL
SCHEMBL22491348 1.00 ALDH1A1 (0.51) ALDH1A1POLBMAPTLMNAMGLL
SCHEMBL29734466 1.00 ALDH1A1 (0.51) ALDH1A1POLBMAPTLMNAMGLL
SCHEMBL29734368 1.00 ALDH1A1 (0.51) ALDH1A1POLBMAPTLMNAMGLL
SCHEMBL22491547 0.92 ALDH1A1 (0.53) ALDH1A1POLBMAPTLMNAMGLL
SCHEMBL22491545 0.92 ALDH1A1 (0.53) ALDH1A1POLBMAPTLMNAMGLL
SCHEMBL22773201 0.92 ALDH1A1 (0.53) ALDH1A1POLBMAPTLMNAMGLL
SCHEMBL29734584 0.92 ALDH1A1 (0.53) ALDH1A1POLBMAPTLMNAMGLL

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 — — US claimed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP claimed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — US claimed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 — — EP claimed
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 — — US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — US disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 — — EP 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 (2 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY ALDH1A1 231/4885POLB 1667/4885MAPT 3857/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY ALDH1A1 231/4885POLB 1667/4885MAPT 3857/4885

“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.

Send feedback