SCHEMBL25397946

SCHEMBL25397946

CCOC(=O)C(OS(C)(=O)=O)c1cn(Cc2ccccc2)nn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ CYP19A1 P11511 7/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ SCD O00767 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL23038469 0.88 ALDH1A1 (0.52) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL25836759 0.87 ALDH1A1 (0.51) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL23376772 0.82 ALDH1A1 (0.63) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL23376712 0.81 ALDH1A1 (0.62) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL31006005 0.76 ALDH1A1 (0.56) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL893141 0.75 ALDH1A1 (1.00) ALDH1A1LMNAHPGDSMN1; SMN2MEN1
SCHEMBL17971112 0.72 ALDH1A1 (0.63) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL10475693 0.72 MEN1 (0.67) ALDH1A1LMNAMEN1KMT2ACYP19A1
SCHEMBL25836764 0.71 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2ACYP19A1
SCHEMBL28503072 0.71 ALDH1A1 (0.64) ALDH1A1LMNAHPGDSMN1; SMN2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118638140-A Oxo-substituted compounds 住友制药株式会社 2024-09-13 — — CN disclosed
CN-112135830-B Oxo-substituted compounds 住友制药株式会社 2024-06-14 — — CN disclosed
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND Sumitomo Pharma Co., Ltd. (JP) 2023-09-14 — — US disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 — — US disclosed
CN-112135830-A Oxo substituted compounds 大日本住友制药株式会社 2020-12-25 — — 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 (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-11702431-B2 Oxo-substituted compound CYP51A1, OXA1L, O60361 ALDH1A1 473/4885LMNA 1484/4885HPGD 461/4885
US-20230287009-A1 OXO-SUBSTITUTED COMPOUND CYP51A1, OXA1L, O60361 ALDH1A1 473/4885LMNA 1484/4885HPGD 461/4885

“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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