SCHEMBL1865359

SCHEMBL1865359

CCC(=O)NCc1ccc(Br)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
NLRP1 Q9C000 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
P2RX7 Q99572 5/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL1873656 0.88 HTT (0.54) TSHRALDH1A1HTTLMNAMAPK1
SCHEMBL1868966 0.84 LMNA (0.40) TSHRLMNAP2RX7
SCHEMBL17914676 0.84 ALDH1A1 (0.62) TSHRALDH1A1LMNAMAPK1NLRP1
SCHEMBL1991831 0.84 SETDB1 (0.52) TSHRALDH1A1HTTLMNAMAPK1
SCHEMBL1866652 0.84 ALDH1A1 (0.52) TSHRALDH1A1HTTLMNAMAPK1
SCHEMBL1866044 0.82 LMNA (0.42) TSHRALDH1A1LMNAROCK2ROCK1
SCHEMBL16899272 0.82 HTT (0.48) TSHRALDH1A1HTTLMNAMAPK1
SCHEMBL1869075 0.81 HPGD (0.52) TSHRALDH1A1HTTLMNAROCK2
SCHEMBL1989133 0.81 ALDH1A1 (0.41) TSHRALDH1A1HTTROCK2ROCK1
SCHEMBL4269892 0.81 TSHR (0.54) TSHRALDH1A1HTTLMNAMAPK1

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-20110152332-A1 Pesticidal Heterocyclic Compounds BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
WO-2011051455-A1 PESTICIDAL HETEROCYCLIC COMPOUNDS BAYER CROPSCIENCE AG (DE) 2011-05-05 WO 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-20110152332-A1 Pesticidal Heterocyclic Compounds DDT, PTMS, CYP4X1 TSHR 759/4885ALDH1A1 812/4885HTT 1047/4885

“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.