SCHEMBL1866652

SCHEMBL1866652

CSCC(=O)NCc1ccc(Br)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
KMT2A Q03164 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
P2RX7 Q99572 5/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL1865359 0.84 TSHR (0.49) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL1873656 0.81 HTT (0.54) ALDH1A1L3MBTL1TSHRHPGDSMN1; SMN2
SCHEMBL1991831 0.80 SETDB1 (0.52) ALDH1A1L3MBTL1TSHRHPGDSMN1; SMN2
SCHEMBL1871892 0.80 EPHX2 (0.43) HPGDSMN1; SMN2KMT2AP2RX7
SCHEMBL1866044 0.79 LMNA (0.42) ALDH1A1TSHRROCK2ROCK1KMT2A
SCHEMBL16899272 0.79 HTT (0.48) ALDH1A1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL1869075 0.78 HPGD (0.52) ALDH1A1L3MBTL1TSHRHPGDSMN1; SMN2
SCHEMBL1989133 0.78 ALDH1A1 (0.41) ALDH1A1TSHRHPGDNPC1RAB9A
SCHEMBL4269892 0.78 TSHR (0.54) ALDH1A1TSHRHPGDSMN1; SMN2NPC1
SCHEMBL1991459 0.77 LMNA (0.45) ALDH1A1TSHRNPC1RAB9AROCK2

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 ALDH1A1 812/4885L3MBTL1 242/4885TSHR 759/4885

“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.