SCHEMBL21591785

SCHEMBL21591785

O=C(NCc1ccccc1)c1cc(-c2c[nH]c3nccc(Oc4ccc5c(c4)CNCC5)c23)on1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 6/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 7/20 0.42
RAB9A P51151 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 6/20 0.41
MEN1 O00255 5/20 0.40
TP53 P04637 2/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.38
ESR1 P03372 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 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
SCHEMBL29836453 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10HPGDNPSR1
SCHEMBL21591763 0.89 CDC7 (0.35) MAPK1
SCHEMBL29836525 0.89 CDC7 (0.35) MAPK1
SCHEMBL21591788 0.79 MGAM (0.38) ALDH1A1SMN1; SMN2POLB
SCHEMBL29836529 0.79 MGAM (0.38) ALDH1A1SMN1; SMN2POLB
SCHEMBL23762196 0.78 CDC7 (0.38) MAPK1
SCHEMBL21591772 0.78 CDC7 (0.41)
SCHEMBL29836411 0.78 CDC7 (0.41)
SCHEMBL21591764 0.77 CYP1A2 (0.43) ALDH1A1KDM4EHSD17B10MAPTLMNA
SCHEMBL29836349 0.77 CYP1A2 (0.43) ALDH1A1KDM4EHSD17B10MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US claimed
EP-3807273-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2021-04-21 EP claimed
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 WO claimed
EP-3807273-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-08-03 EP disclosed
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US disclosed
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US disclosed
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 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 (1 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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA ALDH1A1 1778/4885KDM4E 469/4885HSD17B10 2043/4885

“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.