SCHEMBL13622775

SCHEMBL13622775

COc1cc(Cl)nc2cc(C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 2/20 0.39
MITF O75030 1/20 0.39
BLM P54132 1/20 0.39
THRB P10828 1/20 0.39
IGF1R P08069 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL2534913 0.86 LMNA (0.50) ACHEALOX5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL15578467 0.83 ALDH1A1 (0.59) ACHEALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL7699219 0.81 ALDH1A1 (0.49) ACHEALOX5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2539705 0.79 HPGD (0.62) ALDH1A1SMN1; SMN2KDM4EMAPTPOLB
SCHEMBL7695488 0.78 LMNA (0.52) ACHEALDH1A1KDM4EMAPTPOLB
SCHEMBL3420261 0.78 POLB (0.52) ACHEALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL32474876 0.78 LMNA (0.52) ACHEALDH1A1KDM4EMAPTPOLB
SCHEMBL28598438 0.77 HPGD (0.60) ALDH1A1SMN1; SMN2KDM4EMAPTPOLB
SCHEMBL9595219 0.77 TP53 (0.46) ACHEALOX5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL26731300 0.76 HTT (0.48) ALDH1A1SMN1; SMN2KDM4EMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 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 (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-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR52 ACHE 1868/4885ALOX5 3757/4885ALDH1A1 2412/4885
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 ACHE 2729/4885ALOX5 2117/4885ALDH1A1 1109/4885

“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.