SCHEMBL3828638

SCHEMBL3828638

C[C@@]1(c2ccc(Br)cc2)C(=O)N[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.40
CNR1 P21554 1/20 0.40
POLB P06746 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
LIG1 P18858 1/20 0.33
DGAT1 O75907 1/20 0.33
MMP13 P45452 1/20 0.33
ELANE P08246 1/20 0.33
MAOB P27338 2/20 0.32
HAO1 Q9UJM8 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
SCHEMBL3828636 1.00 HTR6 (0.40) HTR6CNR1POLBMAPTSMN1; SMN2
SCHEMBL3832815 0.80 GSK3A (0.38) HTR6CNR1MAPTKMT2AMEN1
SCHEMBL3832816 0.80 GSK3A (0.38) HTR6CNR1MAPTKMT2AMEN1
SCHEMBL3827553 0.79 TP53 (0.34) KMT2AMEN1ALDH1A1
SCHEMBL3827551 0.79 TP53 (0.34) KMT2AMEN1ALDH1A1
SCHEMBL3833467 0.78 MDM2 (0.39) MAPTALDH1A1
SCHEMBL3833471 0.78 MDM2 (0.39) MAPTALDH1A1
SCHEMBL3828428 0.78 HTR6 (0.39) HTR6KMT2AALDH1A1MAPK1
SCHEMBL3828431 0.78 HTR6 (0.39) HTR6KMT2AALDH1A1MAPK1
SCHEMBL3833984 0.77 CNR1 (0.41) HTR6CNR1POLBMAPTSMN1; SMN2

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-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 HTR6 3973/4885CNR1 4436/4885POLB 3297/4885

“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.