SCHEMBL1873472

SCHEMBL1873472

O=C(CC1CC1)NCc1ccc(Br)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
KMT2A Q03164 2/20 0.44
AAK1 Q2M2I8 1/20 0.44
P2RX7 Q99572 5/20 0.43
ALDH1A1 P00352 1/20 0.42
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL1870046 0.80 P2RX7 (0.44) RAB9ANPC1KMT2AAAK1P2RX7
SCHEMBL1867206 0.80 EPHX2 (0.53) KMT2AP2RX7ALDH1A1HTTEPHX2
SCHEMBL1865359 0.80 TSHR (0.49) RAB9ANPC1P2RX7ALDH1A1ERCC1
SCHEMBL16899272 0.77 HTT (0.48) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1873656 0.77 HTT (0.54) KMT2AP2RX7ALDH1A1HPGDSMN1; SMN2
SCHEMBL1991831 0.76 SETDB1 (0.52) RAB9ANPC1KMT2AALDH1A1HPGD
SCHEMBL1991459 0.76 LMNA (0.45) RAB9ANPC1P2RX7ALDH1A1ERCC1
SCHEMBL1866652 0.76 ALDH1A1 (0.52) RAB9ANPC1KMT2AP2RX7ALDH1A1
SCHEMBL1866044 0.75 LMNA (0.42) KMT2AP2RX7ALDH1A1ERCC1ERCC4
SCHEMBL1989133 0.74 ALDH1A1 (0.41) RAB9ANPC1P2RX7ALDH1A1ERCC1

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 RAB9A 857/4885NPC1 4679/4885KMT2A 817/4885

“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.