SCHEMBL6470515

SCHEMBL6470515

NC(=O)C1(CC(OC(F)(F)F)c2ccccc2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.35
KMT2A Q03164 2/20 0.34
EPHX1 P07099 1/20 0.34
PABPC1 P11940 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRM4 P08173 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
OPRK1 P41145 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL5538602 0.83 MME (0.39) MMEKMT2APABPC1APOBEC3AAPOBEC3G
Hydrochloric Acid SCHEMBL6926712 0.82 MME (0.39) MMEKMT2APABPC1APOBEC3AAPOBEC3G
SCHEMBL6472115 0.80 MME (0.37) MMEKMT2AEPHX1MEN1OPRK1
SCHEMBL4685651 0.80 SLC6A2 (0.34) KMT2ACHRM2CHRM1CHRM3CHRM4
SCHEMBL518234 0.78 MME (0.39) MMEKMT2AEPHX1CHRM2CHRM1
SCHEMBL535200 0.72 CYP2D6 (0.38) MMEKMT2AEPHX1SMN1; SMN2CYP1A2
SCHEMBL2432098 0.71 CYP1A2 (0.53) KMT2ACYP1A2CYP2D6NPSR1LMNA
SCHEMBL2432526 0.71 CYP1A2 (0.53) KMT2ACYP1A2CYP2D6NPSR1LMNA
SCHEMBL7507142 0.71 CYP1A2 (0.42) KMT2AEPHX1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL30795605 0.69 EPHX1 (0.40) KMT2AEPHX1SMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MME 1593/4885KMT2A 693/4885EPHX1 504/4885

“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.