SCHEMBL25190504

SCHEMBL25190504

[CH2]C(=O)c1ccc(NC(C)=O)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.59
CYP1A2 P05177 1/20 0.53
GAA P10253 1/20 0.53
NNMT P40261 1/20 0.50
HCAR3 P49019 4/20 0.47
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 2/20 0.44
EPHX2 P34913 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
NSD2 O96028 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL3465475 0.86 NNMT (0.69) PTK2CYP1A2GAANNMTHCAR3
SCHEMBL7093993 0.85 PTK2 (0.62) PTK2CYP1A2GAANNMTHCAR3
SCHEMBL82675 0.84 HCAR3 (0.68) PTK2CYP1A2GAAHCAR3KMT2A
SCHEMBL1854705 0.81 MAPK1 (0.59) PTK2CYP1A2GAANNMTHCAR3
SCHEMBL19736133 0.81 PTK2 (0.57) PTK2CYP1A2GAANNMTHCAR3
SCHEMBL6923544 0.79 PTK2 (0.56) PTK2CYP1A2GAANNMTHCAR3
SCHEMBL15508497 0.79 PTK2 (0.56) PTK2CYP1A2GAANNMTHCAR3
SCHEMBL16463469 0.79 PTK2 (0.56) PTK2CYP1A2GAAHCAR3RAB9A
SCHEMBL6576391 0.78 ALDH1A1 (0.58) PTK2CYP1A2GAAHCAR3TDP1
SCHEMBL1203341 0.78 PTK2 (0.54) PTK2CYP1A2GAANNMTHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTK2 678/4885CYP1A2 714/4885GAA 2125/4885

“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.