SCHEMBL2832274

SCHEMBL2832274

O=C(O)N1CCCCC1(C(=O)Nc1ccc2[nH]cnc2c1)c1nccs1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.33
EPHX1 P07099 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TEK Q02763 3/20 0.33
KDR P35968 1/20 0.33
NAMPT P43490 1/20 0.32
DNM1L O00429 1/20 0.32
CLK1 P49759 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
QPCT Q16769 3/20 0.31
HSD11B1 P28845 1/20 0.31
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
EPHX2 P34913 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2832282 0.93 EPHX1 (0.41) TRPV1EPHX1NPC1RAB9ANAMPT
SCHEMBL2833004 0.80 FAAH (0.31) ALDH1A1HPGDSMN1; SMN2
SCHEMBL2837448 0.80 SMN1; SMN2 (0.43) NPC1RAB9ANAMPTQPCTKDM4E
SCHEMBL2834514 0.71 OPRL1 (0.36) GAAALDH1A1SMN1; SMN2
SCHEMBL25427671 0.68 EPHX1 (0.43) EPHX1NPC1RAB9ATEKKDR
SCHEMBL31150475 0.68 EPHX1 (0.43) EPHX1NPC1RAB9ATEKKDR
SCHEMBL1078190 0.67 EPHX2 (0.34) TRPV1RAB9ANAMPTHSD11B1KDM4E
SCHEMBL4664227 0.67 EPHX2 (0.38) RAB9AHSD11B1KDM4EKMT2AEPHX2
SCHEMBL3634490 0.66 KDM4E (0.63) RAB9AKDM4EKMT2AGAAMAPT
SCHEMBL5265934 0.66 NAMPT (0.51) EPHX1NPC1RAB9ANAMPTQPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 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 (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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 TRPV1 1777/4885EPHX1 3075/4885NPC1 421/4885

“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.