SCHEMBL21056853

SCHEMBL21056853

CCOC(=O)c1ccncc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
KDM4E B2RXH2 4/20 0.54
TP53 P04637 3/20 0.54
HPGD P15428 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
STAT1 P42224 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 5/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.52
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 2/20 0.50
CACNA1C Q13936 1/20 0.49
DCTPP1 Q9H773 1/20 0.48

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
SCHEMBL28296099 0.88 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
Isoquinoline SCHEMBL28038089 0.84 SCN1A (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6432453 0.84 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3517715 0.82 RAB9A (0.59) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7642688 0.82 TSHR (0.61) ALDH1A1HPGDHSD17B10MAPTTSHR
SCHEMBL4766672 0.82 CDC7 (0.52) ALDH1A1KDM4ETP53HPGDHSD17B10
SCHEMBL14422899 0.82 CYP46A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL396552 0.81 TSHR (0.69) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6437170 0.80 MAPT (0.56) ALDH1A1SMN1; SMN2RAB9AHPGDNFKB1
SCHEMBL2648874 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780821-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2023-10-10 US disclosed
US-11780821-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2023-10-10 US disclosed
US-11780821-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2023-10-10 US disclosed
CN-112105354-A Fibroblast activation protein inhibitor 普拉西斯生物技术有限责任公司 2020-12-18 CN disclosed
EP-3723753-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2020-10-21 EP disclosed
WO-2019118932-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC (US) 2019-06-20 WO disclosed
US-20190185451-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC 2019-06-20 US disclosed
US-20190185451-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC 2019-06-20 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 (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-20190185451-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN FAP, FIBP, FRS2 ALDH1A1 3702/4885SMN1; SMN2 2968/4885NPC1 3869/4885
US-11780821-B2 Inhibitors of fibroblast activation protein FAP, FIBP, FRS2 ALDH1A1 3702/4885SMN1; SMN2 2968/4885NPC1 3869/4885

“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.