SCHEMBL21873443

SCHEMBL21873443

COc1ccc(Cc2cc(C(=O)O)nc3ccoc23)cn1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGFBP5 P24593 6/20 0.43
IGFBP3 P17936 1/20 0.41
GRM2 Q14416 3/20 0.40
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
ADORA2A P29274 1/20 0.36
KCNA3 P22001 1/20 0.36
KCNH2 Q12809 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL30427587 1.00 IGFBP5 (0.43) IGFBP5IGFBP3GRM2ALOX15TDP1
SCHEMBL21873426 0.90 GRM2 (0.40) GRM2TDP1APOBEC3AAPOBEC3GL3MBTL1
SCHEMBL30428545 0.90 GRM2 (0.40) GRM2TDP1APOBEC3AAPOBEC3GL3MBTL1
SCHEMBL12803363 0.84 ALOX15 (0.53) IGFBP5IGFBP3GRM2ALOX15MEN1
SCHEMBL21935353 0.81 CHRM1 (0.47) KMT2AADORA2A
SCHEMBL21873509 0.78 CHRM1 (0.48)
SCHEMBL31668977 0.78 CHRM1 (0.48)
SCHEMBL21873639 0.77 BRD4 (0.37) IGFBP5IGFBP3
SCHEMBL21873469 0.77 CHRM1 (0.48) GRM2
SCHEMBL30427840 0.77 CHRM1 (0.48) GRM2

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
US-12378256-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-08-05 US disclosed
EP-3643718-B1 HETEROCYCLIC COMPOUND AND ITS USE AS POSITIVE ALLOSTERIC MODULATOR OF THE CHOLINERGIC MUSCARINIC M1 RECEPTOR. TAKEDA PHARMACEUTICALS CO (JP) 2023-07-26 EP disclosed
US-11236099-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-02-01 US disclosed
US-20220017530-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-20 US disclosed
US-20210139491-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 US disclosed
EP-3643718-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-04-29 EP 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 (4 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-20220017530-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP IGFBP5 1056/4885IGFBP3 2894/4885GRM2 2865/4885
US-12378256-B2 Heterocyclic compound SLC10A2, ALPI, VIP IGFBP5 1056/4885IGFBP3 2894/4885GRM2 2865/4885
US-20210139491-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP IGFBP5 1056/4885IGFBP3 2894/4885GRM2 2865/4885
US-11236099-B2 Heterocyclic compound SLC10A2, ALPI, VIP IGFBP5 1056/4885IGFBP3 2894/4885GRM2 2865/4885

“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.