SCHEMBL4850458

SCHEMBL4850458

Cn1cc(Br)c(-c2cccc(N(C(=O)c3ccc(Cl)cc3)c3ccccc3Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLA2G1B P04054 2/20 0.37
ATG4B Q9Y4P1 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ALPL P05186 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2A P28223 1/20 0.34
NPC1 O15118 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
RORB Q92753 1/20 0.32

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
SCHEMBL7097264 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1PLA2G1BATG4B
SCHEMBL4852479 0.75 HTR2A (0.44) ALDH1A1L3MBTL1MAPTKMT2AHTR2C
SCHEMBL2959175 0.72 L3MBTL1 (0.61) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL6587577 0.69 GPBAR1 (0.39) MAPTHTTKMT2ANPSR1NPC1
SCHEMBL2953415 0.69 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL2958803 0.68 HTR2A (0.64) ALDH1A1L3MBTL1MAPTHTR2A
SCHEMBL3102713 0.68 L3MBTL1 (0.52) ALDH1A1L3MBTL1ALPL
SCHEMBL2950687 0.67 L3MBTL1 (0.60) ALDH1A1L3MBTL1MAPTKMT2ANPC1
SCHEMBL31393783 0.66 NPSR1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1MAPTPOLB
SCHEMBL9767715 0.66 CES2 (0.50) ALDH1A1SMN1; SMN2L3MBTL1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368539-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-06-02 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-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR3A ALDH1A1 3499/4885SMN1; SMN2 4539/4885L3MBTL1 4160/4885

“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.