SCHEMBL1783476

SCHEMBL1783476

Cc1cc(Cl)ccc1C(Br)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
GRM1 Q13255 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MGLL Q99685 1/20 0.39
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MYC P01106 2/20 0.36

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
SCHEMBL9279565 0.86 TSHR (0.41) TSHRHTR2AHTR2CHTR2BMAPK1
SCHEMBL11075638 0.81 SMN1; SMN2 (0.47) TSHRMEN1KMT2ATDP1ALDH1A1
SCHEMBL11625901 0.81 TSHR (0.51) TSHRHTR2AHTR2CHTR2BGRM1
SCHEMBL508943 0.81 TDP1 (0.42) TSHRHTR2BGRM1MEN1CYP1A2
SCHEMBL508992 0.80 TSHR (0.50) TSHRHTR2AHTR2CHTR2BGRM1
SCHEMBL10745903 0.80 TSHR (0.54) TSHRHTR2AHTR2CHTR2BGRM1
SCHEMBL654108 0.80 TSHR (0.50) TSHRHTR2AHTR2CHTR2BGRM1
SCHEMBL3138636 0.79 TSHR (0.49) TSHRHTR2AHTR2CHTR2BGRM1
SCHEMBL12737359 0.79 GRM1 (0.65) TSHRHTR2AHTR2CHTR2BGRM1
SCHEMBL14774822 0.77 TSHR (0.51) TSHRHTR2AHTR2CHTR2BGRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-05-19 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-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES PNPO, PDXK, PRDX1 TSHR 2207/4885HTR2A 1252/4885HTR2C 1350/4885

“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.