SCHEMBL7128192

SCHEMBL7128192

CCc1c(C)nc2c(C)cccc2c1Cl

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAD52 P43351 1/20 0.42
ELANE P08246 3/20 0.39
PARP1 P09874 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL2830264 0.85 ALDH1A1 (0.58) KDM4EALDH1A1MAPTL3MBTL1NCOA3
SCHEMBL10496029 0.79 MAPT (0.51) KDM4EALDH1A1MAPTL3MBTL1NCOA3
SCHEMBL2125784 0.79 KDM4E (0.49) KDM4EALDH1A1L3MBTL1CYP1A2MEN1
SCHEMBL7128183 0.76 CYP1A2 (0.62) KDM4EALDH1A1L3MBTL1ADRA2AADRA2C
SCHEMBL10810254 0.73 ELANE (0.44) KDM4EALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL30572385 0.72 KDM4E (0.49) KDM4EALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL30572436 0.72 KDM4E (0.49) KDM4EALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL6791707 0.70 MAOA (0.61) KDM4EALDH1A1CYP1A2MEN1KMT2A
SCHEMBL5826547 0.70 ALDH1A1 (0.56) KDM4EALDH1A1MAPTL3MBTL1NCOA3
SCHEMBL9685540 0.70 ALDH1A1 (0.56) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1468224-A Quinoline derivatives as alpha-2 antagonists 2004-01-14 CN disclosed
US-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ORION CORPORATION 2003-12-04 US disclosed
US-6593324-B2 P-aminoanilino- derivatives ORION CORPORATION (FI) 2003-07-15 US disclosed
EP-1263733-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION FARMOS (FI) 2002-12-11 EP disclosed
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists OY JUVANTIA PHARMA LTD. (FI) 2001-11-29 US disclosed
WO-2001064645-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION (FI) 2001-09-07 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 (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-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 KDM4E 3467/4885ALDH1A1 467/4885MAPT 2548/4885
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 KDM4E 3467/4885ALDH1A1 467/4885MAPT 2548/4885

“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.