SCHEMBL22729720

SCHEMBL22729720

COc1ccccc1-n1ccc2c(c(C(=O)O)cn2C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BRPF1 P55201 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL22729407 0.89 NR4A2 (0.47) ALDH1A1GAALMNAABCG2MAPT
SCHEMBL22729857 0.80 ALDH1A1 (0.45) ALDH1A1GAALMNAHTTMAPT
SCHEMBL22729489 0.78 LMNA (0.39) ALDH1A1GAALMNABRPF1BRD4
SCHEMBL29839354 0.78 LMNA (0.39) ALDH1A1GAALMNABRPF1BRD4
SCHEMBL17908066 0.76 ABCG2 (0.50) ALDH1A1GAAHTTABCG2MAPT
SCHEMBL29839305 0.76 KMT2A (0.54) ALDH1A1GAALMNAMAPTKDM4E
SCHEMBL22729649 0.76 KMT2A (0.54) ALDH1A1GAALMNAMAPTKDM4E
SCHEMBL22729819 0.74 LMNA (0.39) ALDH1A1GAALMNAHTTMAPT
SCHEMBL1260417 0.71 ALDH1A1 (0.47) ALDH1A1GAALMNAHTTKDM4E
SCHEMBL22729546 0.68 KMT2A (0.46) ALDH1A1GAALMNAHTTMAPT

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-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — 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 (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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC ALDH1A1 2626/4885GAA 4/4885LMNA 695/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ALDH1A1 2660/4885GAA 4/4885LMNA 680/4885

“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.

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