SCHEMBL548989

SCHEMBL548989

CC(=O)Nc1ccc(-c2nnn(-c3ccc(C(F)(F)F)cc3F)c2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
P2RY14 Q15391 1/20 0.43
KIF11 P52732 4/20 0.41
RET P07949 3/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
NTRK1 P04629 1/20 0.40
PDGFRB P09619 1/20 0.40
LTK P29376 1/20 0.40
FLT3 P36888 1/20 0.40
CDK8 P49336 1/20 0.40
NTRK3 Q16288 1/20 0.40
MAPK14 Q16539 1/20 0.40
NTRK2 Q16620 1/20 0.40
AURKB Q96GD4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL548243 0.82 GABRA2 (0.47) KDM4EALDH1A1HPGDKIF11GABRA2
SCHEMBL548238 0.82 GABRA2 (0.49) ALDH1A1P2RY14KIF11GABRA2GABRB2
SCHEMBL549092 0.80 GABRA2 (0.53) KDM4EALDH1A1HPGDGABRA2GABRB2
SCHEMBL549105 0.79 POLB (0.54) KDM4ELMNAGABRA2GABRB2PTGS2
SCHEMBL549131 0.77 GABRA2 (0.45) KDM4EKIF11GABRA2GABRB2MEN1
SCHEMBL549151 0.74 NOTUM (0.46) KDM4ELMNAALDH1A1HPGDGABRA2
SCHEMBL549152 0.70 GABRA2 (0.58) KIF11GABRA2GABRB2MEN1KMT2A
SCHEMBL1550424 0.68 RAB9A (0.53) LMNAPTGS2NPC1MAPTRAB9A
SCHEMBL669442 0.68 EPHX2 (0.70) LMNAALDH1A1KIF11SMN1; SMN2MEN1
SCHEMBL548181 0.68 POLB (0.59) KDM4EALDH1A1GABRA2GABRB2SMN1; SMN2

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-8110588-B2 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-02-07 US claimed
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 US claimed
CN-101796034-A Novel 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2010-08-04 CN claimed
US-8110588-B2 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-02-07 US disclosed
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 US disclosed
CN-101796034-A Novel 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH AS 2010-08-04 CN 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-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNB3, CHRNA5 KDM4E 3503/4885LMNA 3398/4885ALDH1A1 1573/4885

“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.