SCHEMBL2752066

SCHEMBL2752066

Clc1ccc(Cl)c(-c2c[c]cs2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.37
PDE4D Q08499 1/20 0.37
TP53 P04637 3/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.37
PTPN11 Q06124 2/20 0.35
IDO1 P14902 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 1/20 0.33
PTPN1 P18031 1/20 0.33
S100A4 P26447 1/20 0.32
PKM P14618 1/20 0.32
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
PHOSPHO1 Q8TCT1 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2751464 0.85 AHR (0.41) TP53ALDH1A1MAPTTSHRCYP3A4
SCHEMBL577235 0.72 CYP1A2 (0.36) ALDH1A1MAPTIDO1RAB9A
SCHEMBL2750551 0.72 AHR (0.48) TP53ALDH1A1MAPTTSHRPKM
SCHEMBL29364307 0.70 TP53 (0.61) HTR2BPDE4DTP53ALDH1A1MAPT
SCHEMBL440944 0.70 TP53 (0.61) HTR2BPDE4DTP53ALDH1A1MAPT
SCHEMBL9335409 0.69 CNR2 (0.47) HTR2BPDE4DTP53ALDH1A1MAPT
SCHEMBL2753519 0.68 TSHR (0.35) TSHR
SCHEMBL2751874 0.68 TP53 (0.38) HTR2BPDE4DTP53ALDH1A1MAPT
SCHEMBL2753887 0.67 MAPT (0.36) TP53ALDH1A1MAPTHSD17B10TDP1
SCHEMBL2753333 0.67 HSD17B1 (0.35) ALDH1A1IDO1HSD17B10HPGD

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-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 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 (2 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 HTR2B 3998/4885PDE4D 1326/4885TP53 2735/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 HTR2B 3707/4885PDE4D 1199/4885TP53 4251/4885

“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.