SCHEMBL1734374

SCHEMBL1734374

O=C(O)N(C/C=C/Cl)c1cc(OCc2ccccc2)c2ccccc2c1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
MAPK14 Q16539 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
SGMS2 Q8NHU3 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SRD5A2 P31213 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
FOLH1 Q04609 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL5865337 0.79 TLR9 (0.33) L3MBTL1SMN1; SMN2ALDH1A1PTGER1KDM4E
SCHEMBL20975343 0.77 FFAR1 (0.37) FFAR1MRGPRX4SGMS2NPC1RAB9A
SCHEMBL19607323 0.77 CYP19A1 (0.36) MAPTSMN1; SMN2ALDH1A1PTGER1KDM4E
SCHEMBL12154963 0.77 L3MBTL1 (0.34) FFAR1MRGPRX4L3MBTL1NPC1MAPT
SCHEMBL15286185 0.76 NPSR1 (0.36) FFAR1MRGPRX4L3MBTL1NPC1MAPT
SCHEMBL13311249 0.76 L3MBTL1 (0.37) MRGPRX4L3MBTL1MAPTSMN1; SMN2PTGER1
SCHEMBL14502597 0.75 GLRA1 (0.35) FFAR1MRGPRX4L3MBTL1MAPTSMN1; SMN2
SCHEMBL6324123 0.74 L3MBTL1 (0.40) FFAR1MRGPRX4L3MBTL1ALDH1A1PTGER1
SCHEMBL4603257 0.74 MRGPRX4 (0.40) FFAR1MRGPRX4L3MBTL1NPC1MAPT
SCHEMBL16507355 0.72 MRGPRX4 (0.34) FFAR1MRGPRX4L3MBTL1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
EP-1940789-B1 METHODS AND COMPOUNDS FOR PREPARING CC-1065 ANALOGS MEDAREX INC (US) 2011-11-23 EP disclosed
US-7847105-B2 Methods and compounds for preparing CC-1065 analogs MEDAREX, INC. (US) 2010-12-07 US disclosed
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-06-10 US disclosed
US-20080281102-A1 Methods and Compounds For Preparing Cc-1065 Analogs MEDAREX, INC. (US) 2008-11-13 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-20080281102-A1 Methods and Compounds For Preparing Cc-1065 Analogs CCNI, CBR3, CNR1 FFAR1 2199/4885MRGPRX4 981/4885MAPK14 2936/4885
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF XIAP, ADAM8, CLSPN FFAR1 3966/4885MRGPRX4 2737/4885MAPK14 3564/4885

“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.