SCHEMBL20131002

SCHEMBL20131002

CNN[C@H](C)c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
HTT P42858 2/20 0.55
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 2/20 0.40
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
P2RX7 Q99572 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
SCHEMBL8298242 0.84 LMNA (0.59) LMNATP53HTTMEN1KMT2A
SCHEMBL19965517 0.84 LMNA (0.59) LMNATP53HTTMEN1KMT2A
SCHEMBL8353840 0.84 LMNA (0.59) LMNATP53HTTMEN1KMT2A
SCHEMBL8210156 0.82 LMNA (0.67) LMNATP53HTTMEN1KMT2A
SCHEMBL19816282 0.81 MEN1 (0.52) LMNATP53HTTMEN1KMT2A
SCHEMBL19947020 0.81 MEN1 (0.52) LMNATP53HTTMEN1KMT2A
SCHEMBL19816281 0.81 MEN1 (0.52) LMNATP53HTTMEN1KMT2A
SCHEMBL19958765 0.78 LMNA (0.62) LMNATP53HTTMEN1KMT2A
SCHEMBL19832462 0.78 LMNA (0.62) LMNATP53HTTMEN1KMT2A
SCHEMBL10315783 0.78 LMNA (0.57) LMNATP53HTTMEN1KMT2A

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-20180127395-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CHEMOCENTRYX, INC. 2018-05-10 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-20180127395-A1 SUBSTITUTED BENZIMIDAZOLES AND BENZOPYRAZOLES AS CCR(4) ANTAGONISTS CCR4, CCR1, CCR3 LMNA 4863/4885TP53 2492/4885HTT 4109/4885

“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.