SCHEMBL14008902

SCHEMBL14008902

Cn1nc(-c2cccs2)cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ ALDH1A1 P00352 10/20 0.48
▸ GAA P10253 6/20 0.48
▸ LMNA P02545 2/20 0.43
▸ GLA P06280 2/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HPGD P15428 4/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ FUBP1 Q96AE4 2/20 0.40

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
SCHEMBL3259727 0.86 KDM4E (0.62) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL820498 0.80 KDM4E (0.46) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL12090639 0.78 ALDH1A1 (0.51) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL3743332 0.78 ALDH1A1 (0.51) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL22958203 0.77 ALDH1A1 (0.45) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL22952761 0.75 ALDH1A1 (0.38) L3MBTL1ALDH1A1GAACYP1A2CYP3A4
SCHEMBL14189822 0.74 ALDH1A1 (0.45) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL14035665 0.74 ALDH1A1 (0.45) KDM4EL3MBTL1RXFP1ALDH1A1GAA
SCHEMBL22952759 0.74 TBXAS1 (0.38) L3MBTL1ALDH1A1GAA
SCHEMBL1081410 0.74 KMT2A (0.51) KDM4EL3MBTL1ALDH1A1GAAMEN1

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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2024-07-02 — — US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 — — US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 — — US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 — — US 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 (3 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-12024500-B2 Five-membered ring-substituted pyridazinol compounds and derivatives, preparation methods, herbicidal compositions and applications thereof DDT, CYP3A5, CYP4B1 KDM4E 1065/4885L3MBTL1 3633/4885RXFP1 3150/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 KDM4E 638/4885L3MBTL1 3370/4885RXFP1 4645/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 KDM4E 2316/4885L3MBTL1 3162/4885RXFP1 182/4885

“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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