SCHEMBL9935799

SCHEMBL9935799

Nc1cc(F)c(F)c(F)c1I

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 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
SCHEMBL3046239 0.83 PTK2 (0.39) PTK2ALDH1A1
SCHEMBL22832006 0.79 ALDH1A1 (0.33) ALDH1A1CA12CA1CA2CA7
SCHEMBL16037465 0.79 PTK2 (0.35) PTK2ALDH1A1
SCHEMBL15300754 0.78 KDM1A (0.32) ALDH1A1
SCHEMBL21685744 0.77 CA1 (0.32) ALDH1A1CA12CA1CA2CA7
SCHEMBL27246730 0.75 POLB (0.32) PTK2
SCHEMBL2930298 0.75 CA1 (0.35) CA12CA1CA2CA7CA13
SCHEMBL21684236 0.75 PTK2 (0.41) PTK2ALDH1A1
SCHEMBL998262 0.75 ALDH1A1 (0.38) PTK2ALDH1A1LMNACA12CA1
SCHEMBL30502464 0.75 CA1 (0.35) CA12CA1CA2CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651888-B1 N-((1H-indol-3-yl)-alkyl)-4-benzyl)benzamide and N-((1H-pyrrolo[2,3-b]pyridin-3-yl)-alkyl)-4-benzyl)benzamide derivatives as alpha synuclein aggregation inhibitors for the treatment of neurodegenerative disorders UNIV LEUVEN KATH (BE) 2017-05-17 EP disclosed
CN-103261156-B For treating the noval chemical compound of neurodegenerative disease 鲁汶天主教大学研究开发部 2016-12-28 CN disclosed
EP-2651887-B1 N-(2-(5-substituted-1H-indol-3-yl)ethyl)biphenyl-4-carboxamide derivatives and related compounds as Tau-aggregation induced toxicity inhibitors for the treatment of neurodegenerative disorders UNIV LEUVEN KATH (BE) 2016-08-24 EP disclosed
US-9284271-B2 Compounds for the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-03-15 US disclosed
US-9266832-B2 Compounds for the treatment of neurodegenerative diseases Katholieke Universiteit Levun (BE) 2016-02-23 US disclosed
US-20130289033-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-31 US disclosed
EP-2651887-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP disclosed
EP-2651888-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP disclosed
US-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-17 US disclosed
WO-2012080220-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 WO disclosed
WO-2012080221-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 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 (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-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, PSEN1 PTK2 3676/4885ALDH1A1 2718/4885LMNA 121/4885
US-20130289033-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, PSEN1 PTK2 3547/4885ALDH1A1 2547/4885LMNA 354/4885

“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.