SCHEMBL5635822

SCHEMBL5635822

N=[C]NCc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
MPO P05164 2/20 0.43
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
PLA2G1B P04054 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
KDM1A O60341 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL81122 0.79 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL28681166 0.76 LMNA (0.47) LMNAKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL6071681 0.75 MPO (0.60) LMNAKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL25588006 0.73 LMNA (0.57) LMNAKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL597128 0.71 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL6819 0.71 TAAR1 (0.63) LMNAKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL18901361 0.71 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL6896647 0.71 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL4574091 0.71 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL540771 0.71 LMNA (0.55) LMNAKMT2AMEN1L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 EP disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 US disclosed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 LMNA 4340/4885KMT2A 3541/4885MEN1 4119/4885

“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.