SCHEMBL5824541

SCHEMBL5824541

NC1CCN(Cc2ccccc2Cl)C1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 7/20 0.65
ALDH1A1 P00352 4/20 0.56
ATM Q13315 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
CYP2A13 Q16696 2/20 0.53
KDM4E B2RXH2 4/20 0.53
HTT P42858 2/20 0.53
PLA2G1B P04054 1/20 0.51
RAB9A P51151 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL31669240 1.00 CXCR4 (0.65) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
Hydrochloric Acid SCHEMBL28987734 0.98 CXCR4 (0.63) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL25231483 0.91 CXCR4 (0.57) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL25274515 0.91 CXCR4 (0.57) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL6945977 0.90 CXCR4 (0.73) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
Hydrochloric Acid SCHEMBL11533303 0.89 CXCR4 (0.71) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL2734472 0.82 CYP2A13 (0.51) CXCR4ALDH1A1SIGMAR1CYP2A13KDM4E
SCHEMBL17968039 0.81 ACHE (0.64) CXCR4ALDH1A1SIGMAR1CYP2A13KDM4E
SCHEMBL23507326 0.81 CXCR4 (0.60) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL5824435 0.81 ACHE (0.64) CXCR4ALDH1A1SIGMAR1CYP2A13KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
US-4197243-A ANTIPSYCHOTICS, STRONG CNS DEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-04-08 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 (2 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA CXCR4 275/4885ALDH1A1 2003/4885ATM 412/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA CXCR4 207/4885ALDH1A1 2059/4885ATM 504/4885

“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.