SCHEMBL15978366

SCHEMBL15978366

COCOc1cc(Br)c(C)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 1/20 0.35
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 4/20 0.34
TAAR1 Q96RJ0 2/20 0.34
HTR2C P28335 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
GALR3 O60755 1/20 0.33
POLB P06746 1/20 0.33
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL15980355 0.89 HTR2A (0.39) L3MBTL1MAPTNPSR1HTR2ATAAR1
SCHEMBL15980810 0.88 L3MBTL1 (0.40) SMN1; SMN2L3MBTL1MAPTHTR2ATAAR1
SCHEMBL15978323 0.78 HTR2A (0.40) SMN1; SMN2L3MBTL1HTR2ATAAR1PIK3CD
SCHEMBL15980584 0.77 HTR2A (0.40) TSHRMAPTHTR2ATAAR1HTR2C
SCHEMBL15978363 0.77 CNR2 (0.34) L3MBTL1MAPTALDH1A1LMNAKDM4E
SCHEMBL15031974 0.76 MAPT (0.50) L3MBTL1MAPTNPSR1HTR2ATAAR1
SCHEMBL8708212 0.76 HTR2A (0.46) L3MBTL1HTR2ATAAR1HTR2CPOLB
SCHEMBL26932098 0.76 HTR2A (0.42) L3MBTL1MAPTNPSR1HTR2ATAAR1
SCHEMBL13271960 0.75 LMNA (0.42) SMN1; SMN2L3MBTL1TSHRMAPTALDH1A1
SCHEMBL15451042 0.74 L3MBTL1 (0.47) SMN1; SMN2L3MBTL1MAPTNPSR1ALDH1A1

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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY WEE1, WEE2, NOTUM SMN1; SMN2 4885/4885L3MBTL1 518/4885TSHR 2271/4885

“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.