SCHEMBL31090134

SCHEMBL31090134

Nc1cc(C(=O)O)ncc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ASPH Q12797 3/20 0.44
▸ KDM8 Q8N371 2/20 0.44
▸ HCAR2 Q8TDS4 2/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ P4HTM Q9NXG6 2/20 0.39
▸ P4HA1 P13674 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ KDM6B O15054 1/20 0.38
▸ TET3 O43151 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ BBOX1 O75936 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ TET2 Q6N021 1/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.38

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
SCHEMBL31513879 0.84 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2ASPHKDM8
SCHEMBL3135116 0.81 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2ASPHKDM8
SCHEMBL31052887 0.81 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2ASPHKDM8
SCHEMBL31052884 0.81 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2ASPHKDM8
SCHEMBL23481999 0.78 MAPK1 (0.50) KDM4EALDH1A1MAPTGLAGABRP
SCHEMBL8220004 0.78 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2ASPHKDM8
SCHEMBL5917874 0.78 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2ASPHKDM8
SCHEMBL3242847 0.78 KDM4E (0.55) KDM4EALDH1A1ASPHKDM8P4HTM
SCHEMBL27106805 0.78 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2ASPHKDM8
SCHEMBL21989487 0.76 KDM4E (0.63) KDM4EALDH1A1SMN1; SMN2ASPHKDM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051324-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF KEYTHERA (SUZHOU) BIO-PHARMACEUTICALS CO., LIMITED (CN) 2025-02-13 — — US disclosed
EP-4450498-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Keythera (Suzhou) Bio-Pharmaceuticals Co., Limited (CN) 2024-10-23 — — 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 (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-20250051324-A1 PARP INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF PARP1, PARP2, PARP11 KDM4E 1035/4885ALDH1A1 901/4885SMN1; SMN2 2317/4885

“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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