SCHEMBL4408289

SCHEMBL4408289

CCCn1nnnc1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
CYP1A2 P05177 2/20 0.68
POLB P06746 1/20 0.68
HTT P42858 1/20 0.68
MEN1 O00255 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 1/20 0.68
HSD11B1 P28845 4/20 0.59
P2RX7 Q99572 3/20 0.51
TSHR P16473 2/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
SLC9A1 P19634 1/20 0.46

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
SCHEMBL4409130 0.90 ALDH1A1 (0.64) ALDH1A1CYP1A2POLBHTTMEN1
SCHEMBL4407364 0.88 ALDH1A1 (0.62) ALDH1A1CYP1A2POLBHTTMEN1
SCHEMBL4413792 0.87 ALDH1A1 (0.60) ALDH1A1CYP1A2POLBHTTMEN1
SCHEMBL1154434 0.85 ALDH1A1 (0.62) ALDH1A1CYP1A2POLBHTTMEN1
SCHEMBL13637173 0.83 CYP1A2 (0.61) ALDH1A1CYP1A2POLBHTTMEN1
SCHEMBL10635287 0.82 ALDH1A1 (0.68) ALDH1A1CYP1A2POLBHTTMEN1
SCHEMBL9603257 0.82 ALDH1A1 (0.58) ALDH1A1CYP1A2POLBHTTMEN1
SCHEMBL5799815 0.82 ALDH1A1 (0.68) ALDH1A1CYP1A2POLBHTTMEN1
SCHEMBL8055077 0.82 ALDH1A1 (0.68) ALDH1A1CYP1A2POLBHTTMEN1
SCHEMBL13625680 0.81 ALDH1A1 (0.62) ALDH1A1CYP1A2POLBHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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 (3 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-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 ALDH1A1 732/4885CYP1A2 117/4885POLB 3994/4885
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 ALDH1A1 1702/4885CYP1A2 1473/4885POLB 4763/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 ALDH1A1 1702/4885CYP1A2 1473/4885POLB 4763/4885

“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.