SCHEMBL3022280

SCHEMBL3022280

CCOc1cc(CO)nc2ccc(OC)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.46
▸ KDM4E B2RXH2 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ DYRK1A Q13627 1/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PRNP P04156 1/20 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
SCHEMBL13214422 0.89 KDM4E (0.47) KCNH2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3025917 0.85 KCNH2 (0.48) KCNH2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL3025700 0.85 KDM4E (0.47) KCNH2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL13234527 0.84 KDM4E (0.43) KCNH2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL13234908 0.84 KDM4E (0.43) KCNH2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL13234529 0.77 KCNH2 (0.51) KCNH2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL13235536 0.75 KDM4E (0.39) KCNH2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL31425607 0.74 AGTR1 (0.49) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31587770 0.73 KDM4E (0.56) KDM4ESMN1; SMN2MEN1KMT2ADYRK1A
SCHEMBL13234336 0.73 S1PR1 (0.40) KCNH2SMN1; SMN2MEN1KMT2ACYP1A2

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-20100196476-A1 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDACAO UNIVERSIDADE FEDERAL DE SAO CARLOS (BR) 2010-08-05 — — US disclosed
EP-2167468-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF Fundação Universidade Federal De São Carlos (BR) 2010-03-31 — — EP disclosed
WO-2008144865-A2 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF FUNDAÇÃO UNIVERSIDADE FEDERAL DE SÃO CARLOS (BR) 2008-12-04 — — 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-20100196476-A1 PROCESS FOR THE PREPARATION AND PHARMACEUTICAL FORMULATIONS FOR 4-QUINOLINONES AND QUINOLINES AND USE THEREOF PF4, KCNQ1, KCNQ2 KCNH2 367/4885KDM4E 599/4885SMN1; SMN2 2941/4885

“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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