SCHEMBL3464020

SCHEMBL3464020

COc1ccncc1C(=O)O.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 2/20 0.47
KDM6B O15054 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4A O75164 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
TGM2 P21980 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL30465506 0.98 KDM4C (0.49) KDM4CALDH1A1KDM4ETDP1MAPT
SCHEMBL668446 0.98 KDM4C (0.49) KDM4CALDH1A1KDM4ETDP1MAPT
Hydrochloric Acid SCHEMBL11590758 0.96 KDM4C (0.47) KDM4CALDH1A1KDM4ETDP1MAPT
SCHEMBL115719 0.83 KDM4C (0.53) KDM4CALDH1A1KDM4ETDP1MAPT
SCHEMBL30578227 0.83 KDM4C (0.53) KDM4CALDH1A1KDM4ETDP1MAPT
SCHEMBL334854 0.83 CA12 (0.47) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL11590754 0.81 CA12 (0.46) KDM4CALDH1A1KDM4ETDP1MAPT
SCHEMBL29617706 0.81 SIRT3 (0.59) ALDH1A1KDM4ETDP1CA12CA1
SCHEMBL9646602 0.81 KDM4E (0.59) ALDH1A1KDM4EMAPTKMT2AL3MBTL1
SCHEMBL3966553 0.81 SIRT3 (0.59) ALDH1A1KDM4ETDP1CA12CA1

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-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP 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-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 KDM4C 1782/4885ALDH1A1 192/4885KDM4E 1779/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 KDM4C 1782/4885ALDH1A1 192/4885KDM4E 1779/4885

“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.