SCHEMBL21274571

SCHEMBL21274571

COC(=O)c1ccc(Oc2ccc(F)cc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
MAOB P27338 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
P2RX3 P56373 1/20 0.44
CPS1 P31327 2/20 0.44
PLA2G2A P14555 1/20 0.44
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL23386692 0.89 XDH (0.51) HPGDALDH1A1KDM4ENPC1RAB9A
SCHEMBL17996051 0.88 P2RX3 (0.55) MAOBSLC6A4SLC6A3NPC1RAB9A
SCHEMBL3139349 0.84 HPGD (0.47) HPGDALDH1A1CYP1A2KDM4ESLC6A4
SCHEMBL6149918 0.83 MAOB (0.66) HPGDMAOBALDH1A1CYP1A2RAB9A
SCHEMBL365782 0.83 SCN9A (0.52) SLC6A4P2RX3CPS1SCN9A
SCHEMBL1554929 0.83 CPS1 (0.61) HPGDALDH1A1CYP1A2KDM4ENPC1
SCHEMBL14012584 0.83 CES2 (0.61) ALDH1A1KDM4ESLC6A4SLC6A3NPC1
SCHEMBL523258 0.83 CES2 (0.61) ALDH1A1KDM4ESLC6A4SLC6A3NPC1
SCHEMBL2427949 0.83 HPGD (0.51) HPGDALDH1A1CYP1A2KDM4ESLC6A4
SCHEMBL21274783 0.81 MAOB (0.51) MAOBSCN9AS1PR2CES2CES1

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
CN-111868055-B Inhibitors of TRPC6 勃林格殷格翰国际有限公司 2024-03-08 CN disclosed
US-11370771-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-28 US disclosed
US-11370771-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-28 US disclosed
US-20210053935-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
US-20210053935-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
EP-3752503-A1 INHIBITORS OF TRPC6 Boehringer Ingelheim International GmbH (DE) 2020-12-23 EP disclosed
CN-111868055-A Inhibitors of TRPC6 勃林格殷格翰国际有限公司 2020-10-30 CN disclosed
WO-2019161010-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO disclosed
WO-2019161010-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 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 (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-20210053935-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC4 HPGD 3695/4885MAOB 900/4885ALDH1A1 3340/4885
US-11370771-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC4 HPGD 3695/4885MAOB 900/4885ALDH1A1 3340/4885

“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.