SCHEMBL3979962

SCHEMBL3979962

COc1ccc(I)cc1C#N

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
USP2 O75604 1/20 0.61
IMPDH2 P12268 1/20 0.52
IMPDH1 P20839 1/20 0.52
AR P10275 11/20 0.46
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
IDH1 O75874 1/20 0.41
PGR P06401 1/20 0.41

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
SCHEMBL1642108 0.88 AR (0.53) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL769392 0.83 MAOB (0.42) ALDH1A1KDM4EUSP2MAOAMAOB
SCHEMBL23143199 0.80 XDH (0.51) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL2115285 0.79 XDH (0.48) ALDH1A1KDM4EUSP2
SCHEMBL1762094 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL2094284 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL5029109 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL30730992 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL4709886 0.77 APP (0.56) MAOAMAOB
SCHEMBL3817177 0.76 KDM4E (1.00) ALDH1A1KDM4EUSP2IMPDH2IMPDH1

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
EP-2804868-B1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-04-12 EP disclosed
WO-2016061344-A1 GSK3 INHIBITORS AND THEIR USES MIRX PHARMACEUTICALS LLC (US) 2016-04-21 WO disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
EP-2024333-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-02-18 EP disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT ALDH1A1 1832/4885KDM4E 757/4885USP2 3977/4885

“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.