SCHEMBL13235536

SCHEMBL13235536

CCOc1cc(COOC2NCN2)nc2ccc(OC)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CTSG P08311 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ KLK14 Q9P0G3 1/20 0.35
▸ KLK5 Q9Y337 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ LMNA P02545 4/20 0.34

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
SCHEMBL13234908 0.85 KDM4E (0.43) KDM4EMAPTCYP1A2HSD17B10ALDH1A1
SCHEMBL13234527 0.83 KDM4E (0.43) KDM4EMAPTCYP1A2HSD17B10ALDH1A1
SCHEMBL3025700 0.79 KDM4E (0.47) KDM4EMAPTCYP1A2HSD17B10ALDH1A1
SCHEMBL13214422 0.78 KDM4E (0.47) KDM4EMAPTCYP1A2HSD17B10ALDH1A1
SCHEMBL3022280 0.75 KCNH2 (0.46) KDM4ECYP1A2HSD17B10ALDH1A1HPGD
SCHEMBL3025917 0.72 KCNH2 (0.48) KDM4ECYP1A2HSD17B10ALDH1A1HPGD
SCHEMBL13234529 0.68 KCNH2 (0.51) KDM4EMAPTCYP1A2HSD17B10ALDH1A1
SCHEMBL31587770 0.64 KDM4E (0.56) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL19249249 0.64 PLA2G2A (0.46) KDM4EMEN1KMT2ASMN1; SMN2KCNH2
Hydrochloric Acid SCHEMBL19211139 0.64 KDM4E (0.52) KDM4EMAPTALDH1A1HPGDMEN1

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 1 patent. 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

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 KDM4E 599/4885MAPT 3852/4885CYP1A2 160/4885

“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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