SCHEMBL3833604

SCHEMBL3833604

C[C@@]1(c2ccc(Cl)c(F)c2)NC(=O)N[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
LMNA P02545 1/20 0.33
MMP2 P08253 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A2 P23975 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 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
SCHEMBL3833602 1.00 HTR6 (0.35) HTR6ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL13567917 0.85 ALDH1A1 (0.34) HTR6ALDH1A1SLC6A4SLC6A3LMNA
SCHEMBL3833886 0.81 HTT (0.40) ALDH1A1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL3833882 0.81 HTT (0.40) ALDH1A1CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL3828428 0.80 HTR6 (0.39) HTR6ALDH1A1SLC6A4SLC6A3MAPK1
SCHEMBL3828431 0.80 HTR6 (0.39) HTR6ALDH1A1SLC6A4SLC6A3MAPK1
SCHEMBL3833984 0.79 CNR1 (0.41) HTR6ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL3833981 0.79 CNR1 (0.41) HTR6ALDH1A1CYP1A2CYP3A4TSHR
SCHEMBL1508787 0.78 NPSR1 (0.36) ALDH1A1SLC6A4SLC6A3LMNAKMT2A
SCHEMBL13567931 0.78 NPSR1 (0.36) ALDH1A1SLC6A4SLC6A3LMNAKMT2A

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 3973/4885ALDH1A1 1990/4885CYP1A2 2810/4885

“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.