SCHEMBL25205458

SCHEMBL25205458

COc1ccc(Cn2cc(C(=O)O)c(OC)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
CHRM1 P11229 2/20 0.48
AADAT Q8N5Z0 1/20 0.47
CACNA1G O43497 2/20 0.46
CACNA1H O95180 2/20 0.46
CACNA1I Q9P0X4 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
ATM Q13315 1/20 0.43
HDAC1 Q13547 1/20 0.43
CMA1 P23946 1/20 0.43
FABP4 P15090 1/20 0.42
SNCA P37840 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
LDHA P00338 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL25184413 0.89 AADAT (0.47) KMT2ACHRM1AADATCACNA1GCACNA1H
SCHEMBL3532926 0.89 KMT2A (0.60) KMT2ACHRM1CACNA1GCACNA1HCACNA1I
SCHEMBL25188719 0.88 AADAT (0.46) KMT2ACHRM1AADATCACNA1GCACNA1H
SCHEMBL30953772 0.88 AADAT (0.46) KMT2AAADATCACNA1GCACNA1HCACNA1I
SCHEMBL1047554 0.86 KMT2A (0.55) KMT2ACHRM1AADATCACNA1GCACNA1H
SCHEMBL370237 0.85 KMT2A (0.47) KMT2ACHRM1AADATCACNA1GCACNA1H
SCHEMBL25198644 0.85 GSK3B (0.47) KMT2ACHRM1AADATCACNA1GCACNA1H
SCHEMBL370320 0.85 KMT2A (0.54) KMT2ACHRM1AADATCACNA1GCACNA1H
SCHEMBL25191628 0.84 MAPT (0.47) KMT2AAADATMEN1USP2TP53
SCHEMBL370507 0.84 KMT2A (0.53) KMT2ACHRM1AADATCACNA1GCACNA1H

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 6 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
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO 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
CN-114907358-A Pyridine-containing polycyclic derivative regulator, and preparation method and application thereof 上海翰森生物医药科技有限公司 2022-08-16 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 KMT2A 2019/4885CHRM1 4412/4885AADAT 2597/4885

“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.