SCHEMBL4514869

SCHEMBL4514869

Cc1c(COC(=O)c2ccccc2)cc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Br)cc2)[n+]1[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
PTGER1 P34995 1/20 0.35
CNR1 P21554 1/20 0.34
MITF O75030 1/20 0.34
RAD52 P43351 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 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
SCHEMBL3878440 0.81 MRGPRX4 (0.39) POLBALDH1A1CNR1
SCHEMBL4514970 0.76 L3MBTL1 (0.43) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL4510528 0.73 MAPT (0.39) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL3878437 0.73 DHODH (0.38) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL4518576 0.71 SMN1; SMN2 (0.38) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL6666901 0.69 L3MBTL1 (0.74) RAB9AMAPTPOLBL3MBTL1MEN1
SCHEMBL755285 0.67 L3MBTL1 (0.51) RAB9ANPC1MAPTSMN1; SMN2POLB
SCHEMBL12434794 0.67 L3MBTL1 (0.46) RAB9ANPC1MAPTPOLBTSHR
SCHEMBL8230355 0.62 RAB9A (0.51) RAB9ANPC1MAPTTSHRL3MBTL1
SCHEMBL754900 0.61 KMT2A (0.76) RAB9ANPC1MAPTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS 2009-08-13 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 (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-20090203699-A1 AMINOMETHYLPYRIDINE DERIVATIVES, METHOD FOR PREPARING SAME AND THERAPEUTIC USE THEREOF TPMT, QDPR, HNMT RAB9A 2677/4885NPC1 3884/4885MAPT 1642/4885

“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.