SCHEMBL244872

SCHEMBL244872

Cc1nc(CBr)nn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.42
MAPK1 P28482 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
FCGR1A P12314 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 2/20 0.37
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6030353 0.82 LMNA (0.48) LMNATSHRUSP2MAPK1SMN1; SMN2
SCHEMBL16900285 0.81 USP2 (0.62) LMNATSHRUSP2MAPK1SMN1; SMN2
SCHEMBL20110258 0.76 MAPK1 (0.43) LMNAMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL18136489 0.75 SMN1; SMN2 (0.46) LMNATSHRMAPK1SMN1; SMN2CYP1A2
SCHEMBL6031290 0.72 KDM4E (0.49) LMNATSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11582679 0.72 SMN1; SMN2 (0.52) LMNATSHRMAPK1SMN1; SMN2CYP1A2
SCHEMBL11510201 0.72 MAPK1 (0.43) LMNAMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL236974 0.72 KDM4A (0.45) LMNATSHRUSP2MAPK1SMN1; SMN2
SCHEMBL2832928 0.71 MAPK1 (0.47) MAPK1SMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL14007393 0.70 NPC1 (0.52) SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293768-B2 Organic compounds NOVARTIS AG (CH) 2012-10-23 US disclosed
US-20120004164-A1 ORGANIC COMPOUNDS XENON PHARMACEUTICALS INC. (CA) 2012-01-05 US disclosed
US-8063084-B2 Heterocyclic compounds suitable for the treatment of diseases related to elevated lipid levels NOVARTIS AG (CH) 2011-11-22 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-20120004164-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 LMNA 2176/4885TSHR 4191/4885USP2 2770/4885

“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.