SCHEMBL3671992

SCHEMBL3671992

O=C(Nc1cc(C(F)(F)F)ccc1Cl)Nc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.72
TP53 P04637 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
TRPV1 Q8NER1 2/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.49
KCNH2 Q12809 1/20 0.49
NTRK1 P04629 1/20 0.49
CDK19 Q9BWU1 1/20 0.49

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
SCHEMBL3670678 0.88 CHRNA7 (0.67) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL29776952 0.87 CHRNA7 (0.76) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL20472469 0.87 CHRNA7 (0.76) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL4349059 0.86 GRIK1 (0.63) CHRNA7MAPTTRPV1MEN1KMT2A
SCHEMBL3681047 0.86 CHRNA7 (0.67) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL1459621 0.84 CHRNA7 (1.00) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL6417211 0.83 CHRNA7 (0.63) CHRNA7TRPV1MEN1KMT2AALDH1A1
SCHEMBL5594738 0.82 CHRNA7 (0.66) CHRNA7TP53GAAMAPTTRPV1
SCHEMBL4350084 0.80 MTOR (0.56) CHRNA7TRPV1MEN1KMT2ACYP1A2
SCHEMBL6229028 0.79 MTOR (0.56) CHRNA7MAPTTRPV1MEN1KMT2A

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
US-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER NEUROSEARCH A/S (DK) 2010-09-16 US claimed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 US claimed
EP-2255848-A2 Pharmaceutical combinations of a nicotine receptor modulator and a cognitive enhancer NeuroSearch AS (DK) 2010-12-01 EP disclosed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 US disclosed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 US disclosed
US-20070142450-A1 Novel urea derivatives and their medical use NEUROSEARCH A/S (DK) 2007-06-21 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-20100234349-A1 PHARMACEUTICAL COMBINATIONS OF A NICOTINE RECEPTOR MODULATOR AND A COGNITIVE ENHANCER CHRNA10, CHRNA4, CHRNA5 CHRNA7 7/4885TP53 2042/4885GAA 559/4885
US-20070142450-A1 Novel urea derivatives and their medical use ACHE, NMUR1, NMUR2 CHRNA7 11/4885TP53 4506/4885GAA 3140/4885

“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.