SCHEMBL3680987

SCHEMBL3680987

CC(=O)Nc1cc(Cl)c(Cl)cc1NC(=O)Nc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.62
MAPT P10636 2/20 0.60
TP53 P04637 1/20 0.60
GAA P10253 1/20 0.60
TRPV1 Q8NER1 2/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 5/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 2/20 0.51
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 3/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
LMNA P02545 1/20 0.51
CYP2D6 P10635 1/20 0.50

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
SCHEMBL13170074 0.91 MEN1 (0.60) CHRNA7MAPTTRPV1KMT2AMEN1
SCHEMBL29776952 0.88 CHRNA7 (0.76) CHRNA7MAPTTP53GAATRPV1
SCHEMBL20472469 0.88 CHRNA7 (0.76) CHRNA7MAPTTP53GAATRPV1
SCHEMBL3680621 0.83 CHRNA7 (0.62) CHRNA7MAPTTP53GAATRPV1
SCHEMBL13451876 0.82 CHRNA7 (0.64) CHRNA7MAPTTP53GAATRPV1
SCHEMBL15435517 0.80 CYP1A2 (0.62) CHRNA7MAPTTP53GAATRPV1
SCHEMBL31090296 0.79 ALDH1A1 (0.59) MAPTKMT2AMEN1CYP1A2CYP2C19
SCHEMBL22057590 0.79 ALDH1A1 (0.59) MAPTKMT2AMEN1CYP1A2CYP2C19
SCHEMBL3681047 0.79 CHRNA7 (0.67) CHRNA7MAPTTP53GAATRPV1
SCHEMBL13613542 0.79 KDR (0.69) CHRNA7MAPTTP53GAATRPV1

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 8 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-1732883-A1 NOVEL UREA DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2006-12-20 EP claimed
WO-2005092843-A1 NOVEL UREA DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2005-10-06 WO 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 7/4885MAPT 365/4885TP53 2042/4885
US-20070142450-A1 Novel urea derivatives and their medical use ACHE, NMUR1, NMUR2 CHRNA7 11/4885MAPT 206/4885TP53 4506/4885

“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.