SCHEMBL2524846

SCHEMBL2524846

CCCCN1CCn2cc(C(=O)OCC)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ SLC29A1 Q99808 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ COMT P21964 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR4 Q13639 1/20 0.38
▸ KCNJ1 P48048 1/20 0.37
▸ HRH2 P25021 4/20 0.37
▸ HRH1 P35367 4/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37

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
SCHEMBL27140139 0.88 COMT (0.38) KCNH2HRH3KDM4ECOMTKCNJ1
SCHEMBL12283967 0.83 CYP2C9 (0.45) KDM4ECA12CA1CA2CA7
SCHEMBL27140818 0.79 DRD2 (0.44) KDM4EMEN1KMT2ATSHR
SCHEMBL12211173 0.77 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL25318763 0.73 RAB9A (0.45) KDM4ECA12CA1CA2CA7
SCHEMBL2519720 0.71 CA12 (0.41) KDM4ECA12CA1CA2CA7
SCHEMBL12211189 0.69 RAB9A (0.40) KDM4ECA12CA1CA2CA7
SCHEMBL12271733 0.69 ALOX5 (0.43) KDM4ECA12CA1CA2CA7
SCHEMBL16101883 0.69 MAPT (0.41) —
SCHEMBL12283561 0.69 HDAC6 (0.36) KDM4EMEN1KMT2ACYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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 (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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 KCNH2 3392/4885HRH3 36/4885SLC29A1 2385/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 KCNH2 3392/4885HRH3 36/4885SLC29A1 2385/4885

“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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