SCHEMBL5114983

SCHEMBL5114983

CC(=O)c1ncsc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.31
AHR P35869 1/20 0.31

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
SCHEMBL7983978 0.80 CFTR (0.40) ALDH1A1PKMKMT2APOLB
SCHEMBL16637048 0.80 NPSR1 (0.41) ALDH1A1KDM4EPKMKMT2A
SCHEMBL23366909 0.77 CYP1A2 (0.32) KDM4E
SCHEMBL5113693 0.77 GSK3B (0.40) KDM4E
SCHEMBL16637166 0.76 HDAC4 (0.44)
Hydrochloric Acid SCHEMBL23354097 0.75 LMNA (0.33) KDM4E
SCHEMBL23354458 0.72 ALDH1A1 (0.33) ALDH1A1KDM4EPKMKMT2A
SCHEMBL10856198 0.71
SCHEMBL23354538 0.71 MEN1 (0.31) KMT2A
SCHEMBL12791561 0.69

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-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 US disclosed
US-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues NEUROGEN CORPORATION (US) 2008-04-10 US disclosed
EP-1836203-A2 HETEROARYL SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2007-09-26 EP disclosed
WO-2006076646-A2 HETEROARYL SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2006-07-20 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-20080085901-A1 Heteroaryl Substituted Quinolin-4-Ylamine Analogues PIGS, GPR52, GPR174 ALDH1A1 1109/4885KDM4E 2834/4885PKM 2544/4885

“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.