SCHEMBL17276802

SCHEMBL17276802

CC(C)N1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)O)cc3)ccc1O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.50
HDAC4 P56524 5/20 0.50
HDAC1 Q13547 5/20 0.50
HDAC7 Q8WUI4 5/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC10 Q969S8 5/20 0.50
HDAC11 Q96DB2 5/20 0.50
HDAC8 Q9BY41 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC9 Q9UKV0 5/20 0.50
HDAC5 Q9UQL6 5/20 0.50
ACACB O00763 4/20 0.49
ACACA Q13085 3/20 0.49
EPHX2 P34913 2/20 0.48
KMT2A Q03164 1/20 0.47
HSD11B1 P28845 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
EPHX1 P07099 1/20 0.43

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
SCHEMBL23097299 0.93 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4518944 0.91 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20362435 0.82 KMT2A (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17276694 0.81 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17276728 0.80 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20362434 0.79 KDM4E (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23097314 0.79 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18730485 0.79 SLC5A7 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2128579 0.79 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2128570 0.79 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145933-B1 NAMPT INHIBITORS AND METHODS GENZYME CORP (US) 2021-03-17 EP disclosed
US-20180312525-A1 NAMPT Inhibitors for Cancer Therapy GENZYME CORPORATION 2018-11-01 US disclosed
US-10017523-B2 NAMPT inhibitors and methods GENZYME CORPORATION (US) 2018-07-10 US disclosed
US-20170107231-A1 NAMPT Inhibitors and Methods GENZYME CORPORATION 2017-04-20 US disclosed
EP-3145933-A1 NAMPT INHIBITORS AND METHODS Genzyme Corporation (US) 2017-03-29 EP disclosed
WO-2015179759-A1 NAMPT INHIBITORS AND METHODS GENZYME CORPORATION (US) 2015-11-26 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 (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-20180312525-A1 NAMPT Inhibitors for Cancer Therapy NAMPT, NME2, NQO1 HDAC3 118/4885HDAC4 113/4885HDAC1 52/4885
US-10017523-B2 NAMPT inhibitors and methods NAMPT, NAPRT, NME2 HDAC3 234/4885HDAC4 319/4885HDAC1 134/4885
US-20170107231-A1 NAMPT Inhibitors and Methods NAMPT, NAPRT, NME2 HDAC3 234/4885HDAC4 319/4885HDAC1 134/4885

“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.