SCHEMBL21233174

SCHEMBL21233174

Cc1cc(-c2ccno2)nn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CYP1A2 P05177 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ EPHX2 P34913 1/20 0.33
▸ CYP19A1 P11511 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ BAZ2B Q9UIF8 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.31
▸ AR P10275 1/20 0.31

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
SCHEMBL26847636 0.78 KDM4E (0.36) ALDH1A1SMN1; SMN2KDM4EGAACYP1A2
SCHEMBL22951265 0.78 RAB9A (0.37) ALDH1A1SMN1; SMN2KDM4EGAARAB9A
SCHEMBL26849404 0.74 KDM4E (0.34) ALDH1A1SMN1; SMN2KDM4EGAACYP1A2
SCHEMBL26847650 0.73 KDM4E (0.33) ALDH1A1SMN1; SMN2KDM4EGAACYP1A2
SCHEMBL26847491 0.73 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KDM4EAPOBEC3GTDP1
SCHEMBL12090641 0.71 PTGS2 (0.51) ALDH1A1SMN1; SMN2KDM4EGAATDP1
SCHEMBL21233177 0.71 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2APOBEC3GTDP1CYP1A2
SCHEMBL26847644 0.70 RORC (0.36) ALDH1A1SMN1; SMN2APOBEC3GTDP1CYP1A2
SCHEMBL13683187 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EGAAAPOBEC3G
SCHEMBL19145066 0.68 DYRK1A (0.41) ALDH1A1SMN1; SMN2GAAAPOBEC3GTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 — — US disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 — — US disclosed
WO-2019148851-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUND AND DERIVATIVES THEREOF, PREPARATION METHOD, HERBICIDAL COMPOSITION, AND APPLICATION 青岛清原化合物有限公司 2019-08-08 — — WO disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 — — WO 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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 ALDH1A1 3565/4885SMN1; SMN2 2626/4885KDM4E 4701/4885

“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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