SCHEMBL22189574

SCHEMBL22189574

COC(=O)c1ccncc1C#Cc1ccc(OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
APP P05067 2/20 0.44
ACACB O00763 2/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP2D6 P10635 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 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
SCHEMBL29581194 0.88 HAO1 (0.45) LMNAKDM4EALDH1A1APPACACB
SCHEMBL22189805 0.88 HAO1 (0.45) LMNAKDM4EALDH1A1APPACACB
SCHEMBL22189597 0.86 ALDH1A1 (0.49) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL29582065 0.86 ALDH1A1 (0.49) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL15567807 0.84 ALDH1A1 (0.47) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL28887684 0.80 SLC16A3 (0.50) LMNAKDM4EALDH1A1APPACACB
SCHEMBL23826138 0.76 KDM4E (0.60) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL2847922 0.75 ALDH1A1 (0.58) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL29467363 0.75 ALDH1A1 (0.58) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL4770735 0.75 APP (0.42) LMNAKDM4EALDH1A1APPACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114126597-A Fibroblast activation protein inhibitor 普拉西斯生物技术有限责任公司 2022-03-01 CN disclosed
EP-3906024-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2021-11-10 EP disclosed
US-20200216417-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-07-09 US disclosed
WO-2020142742-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2020-07-09 WO disclosed
US-20200216417-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-07-09 US 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-20200216417-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN FAP, FIBP, FRS2 LMNA 1888/4885KDM4E 3267/4885ALDH1A1 3702/4885

“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.