SCHEMBL2224640

SCHEMBL2224640

O=C(O)N1CCCC(c2nc(-c3ccc(F)cc3)cs2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.55
SMN1; SMN2 Q16637 6/20 0.49
MAPK1 P28482 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSD11B1 P28845 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 4/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 2/20 0.45
GRM5 P41594 1/20 0.45
CLPP Q16740 1/20 0.45
TSHR P16473 2/20 0.44
PKM P14618 1/20 0.44
POLB P06746 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
SCHEMBL3766121 0.87 TRPV1 (0.53) TRPV1SMN1; SMN2MAPK1ALDH1A1NPC1
SCHEMBL6913568 0.84 TRPV1 (0.52) TRPV1SMN1; SMN2MAPK1ALDH1A1NPC1
SCHEMBL6169490 0.77 GRM5 (0.45) SMN1; SMN2MAPK1ALDH1A1NPC1RAB9A
SCHEMBL1287152 0.77 RAB9A (0.56) TRPV1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13838130 0.76 RAB9A (0.55) SMN1; SMN2MAPK1ALDH1A1RAB9AL3MBTL1
SCHEMBL3763231 0.75 FAAH (0.61) TRPV1SMN1; SMN2ALDH1A1L3MBTL1HSD11B1
SCHEMBL25168713 0.75 FAAH (0.51) TRPV1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL14736726 0.74 MKNK1 (0.55) HTT
SCHEMBL2228048 0.74 GRM5 (0.50) RAB9AL3MBTL1HSD11B1GRM5CLPP
SCHEMBL4099888 0.74 RAB9A (0.57) SMN1; SMN2ALDH1A1NPC1RAB9AHSD11B1

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 TRPV1 3863/4885SMN1; SMN2 2921/4885MAPK1 4174/4885

“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.