SCHEMBL3182176

SCHEMBL3182176

N#Cc1cc([NH])cc(C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.40
ALB P02768 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
VCAM1 P19320 2/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GPR35 Q9HC97 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
ENPP2 Q13822 1/20 0.30

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
SCHEMBL60145 0.83 TTR (0.50) TTRALBMEN1KMT2AVCAM1
Benzene SCHEMBL28322584 0.76 TSHR (0.59) TTRALBMEN1KMT2AVCAM1
Cyanide SCHEMBL11880265 0.76 TTR (0.46) TTRALBMEN1KMT2AVCAM1
SCHEMBL543432 0.73
SCHEMBL3194338 0.71 TTR (0.42) TTRALBMEN1KMT2AVCAM1
SCHEMBL14244754 0.69 VCAM1 (0.38) TTRALBMEN1KMT2AVCAM1
SCHEMBL7930685 0.69 TTR (0.41) TTRALBMEN1KMT2AVCAM1
SCHEMBL6654910 0.69 VCAM1 (0.39) TTRALBMEN1KMT2AVCAM1
SCHEMBL3191048 0.69 VCAM1 (0.42) TTRALBMEN1KMT2AVCAM1
SCHEMBL11880496 0.69 VCAM1 (0.42) TTRALBMEN1KMT2AVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 EP 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 TTR 1095/4885ALB 4131/4885MEN1 93/4885

“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.