SCHEMBL3834022

SCHEMBL3834022

NC(c1ccc(Cl)cc1)C1(N)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 10/20 0.44
SLC6A3 Q01959 8/20 0.44
ADRB2 P07550 1/20 0.43
IDO1 P14902 3/20 0.41
TDO2 P48775 3/20 0.41
SLC6A2 P23975 3/20 0.38
TSHR P16473 3/20 0.36
TP53 P04637 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 2/20 0.35
HIF1A Q16665 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
BRD4 O60885 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
SCHEMBL8172294 0.78 DPP4 (0.41) SLC6A4SLC6A3IDO1SLC6A2
Ammonia Solution, Strong SCHEMBL9568242 0.76 DPP4 (0.39) SLC6A4SLC6A3IDO1SLC6A2
SCHEMBL18527097 0.71 IDO1 (0.44) SLC6A4SLC6A3ADRB2IDO1TDO2
SCHEMBL3830478 0.70 HDAC4 (0.39) SLC6A4SLC6A3ADRB2SLC6A2TSHR
SCHEMBL12321361 0.69 IDO1 (0.42) SLC6A4SLC6A3ADRB2IDO1TDO2
SCHEMBL1349637 0.69 ADRB2 (0.37) SLC6A4SLC6A3ADRB2SLC6A2TSHR
SCHEMBL15601047 0.68 CYP2C9 (0.42) ADRB2TSHRCYP3A4ALOX15MAPK1
SCHEMBL8478708 0.66 SLC6A4 (0.53) SLC6A4SLC6A3
SCHEMBL9299071 0.65 ADRB2 (0.45) SLC6A4SLC6A3ADRB2IDO1TDO2
SCHEMBL24017052 0.65 ADRB2 (0.62) SLC6A4SLC6A3ADRB2IDO1TDO2

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 4 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
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
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 SLC6A4 4784/4885SLC6A3 4833/4885ADRB2 4033/4885

“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.