SCHEMBL25190853

SCHEMBL25190853

COC(=O)c1ccc(C(=O)CBr)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.47
PTPN1 P18031 4/20 0.47
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
MAPT P10636 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 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
SCHEMBL7920331 0.88 KDM4E (0.49) GSK3BPTPN1KDM4EALDH1A1HPGD
SCHEMBL28547135 0.84 GSK3B (0.50) GSK3BPTPN1KDM4EALDH1A1HPGD
SCHEMBL523320 0.83 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL28510586 0.83 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL9820914 0.82 PTPN1 (0.52) GSK3BPTPN1MAPT
SCHEMBL31604442 0.81 GAA (0.49) GSK3BPTPN1KDM4EGAA
SCHEMBL31386348 0.81 GSK3B (0.47) GSK3BPTPN1KDM4EALDH1A1HPGD
SCHEMBL16959889 0.80 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL838252 0.80 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1482927 0.80 HTT (0.59) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116134035-B 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2025-03-11 CN disclosed
US-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-09-21 US disclosed
EP-4185588-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS Janssen Pharmaceutica NV (BE) 2023-05-31 EP disclosed
CN-116134035-A 3- (1H-imidazol-2-yl) -2,3,8 a-tetrahydroindol-5 (1H) -one derivatives useful as factor XIA inhibitors 詹森药业有限公司 2023-05-16 CN 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-20230295157-A1 3-(1H-IMIDAZOL-2-YL)-2,3,8,8A-TETRAHYDROINDOLIZIN-5(1H)-ONE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS SERPINC1, F11, TFPI2 GSK3B 560/4885PTPN1 2738/4885KDM4E 1528/4885

“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.