SCHEMBL1734375

SCHEMBL1734375

O=C(O)N(c1cc(OCc2ccccc2)c2ccccc2c1)C(I)C=CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
RXRA P19793 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
PTGER1 P34995 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
XBP1 P17861 1/20 0.34
NFKB1 P19838 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
SCHEMBL4603257 0.74 MRGPRX4 (0.40) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6959477 0.68 MRGPRX4 (0.66) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL30696120 0.68 MRGPRX4 (0.66) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8135590 0.67 TSPO (0.43) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8132061 0.66 MRGPRX4 (0.40) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4421114 0.65 RAB9A (0.58) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL16569114 0.65 MRGPRX4 (0.51) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL27158539 0.65 KMT2A (0.55) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL6041334 0.65 MRGPRX4 (0.47) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4431406 0.65 MRGPRX4 (0.50) MRGPRX4SMN1; SMN2MAPTNPC1RAB9A

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 MRGPRX4 981/4885SMN1; SMN2 1910/4885MAPT 4654/4885
US-20100145036-A1 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF XIAP, ADAM8, CLSPN MRGPRX4 2737/4885SMN1; SMN2 2901/4885MAPT 4143/4885

“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.