SCHEMBL2227173

SCHEMBL2227173

O=C(O)N1CCCC(c2ncc(-c3ccc(F)cc3)o2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.50
CLPP Q16740 1/20 0.50
TP53 P04637 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 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
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC4 P56524 1/20 0.45
TSHR P16473 2/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL12231313 0.87 TP53 (0.54) TP53MAPTLMNACYP2C9CA12
SCHEMBL412917 0.84 MEN1 (0.54) GRM5CLPPTP53LMNACYP2C9
SCHEMBL6912658 0.84 GPR119 (0.48) GRM5CLPPTP53MAPTLMNA
SCHEMBL13838145 0.76 RAB9A (0.60) GRM5CLPPTP53LMNAPOLB
SCHEMBL2225290 0.74 GRM5 (0.54) GRM5CLPPPOLBMEN1KMT2A
SCHEMBL5241353 0.74 JAK2 (0.50) TP53LMNACYP2C9CYP3A4CYP2C19
SCHEMBL3874494 0.74 MEN1 (0.48) GRM5TP53MAPTLMNACYP2C9
SCHEMBL4099888 0.74 RAB9A (0.57) GRM5CLPPMAPTLMNAHSD11B1
SCHEMBL12231234 0.74 SCD5 (0.47) GRM5TP53MAPTLMNACYP2C9
SCHEMBL17151678 0.73 GPR119 (0.55) TP53MAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B GRM5 3203/4885CLPP 3511/4885TP53 1471/4885

“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.