SCHEMBL22639679

SCHEMBL22639679

Cc1cc(=O)nc(N/N=C/c2cccnc2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.51
▸ SMN1; SMN2 Q16637 8/20 0.51
▸ MAPT P10636 8/20 0.51
▸ LMNA P02545 6/20 0.51
▸ NPC1 O15118 5/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ GAA P10253 8/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ NT5E P21589 1/20 0.48
▸ GFER P55789 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAOA P21397 1/20 0.46

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
SCHEMBL22639804 0.83 MAPT (0.62) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL21519620 0.77 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL21519616 0.77 MAPT (0.53) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL21519445 0.75 KMT2A (0.52) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL21519447 0.75 KMT2A (0.52) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL21519560 0.74 KMT2A (0.70) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL21519562 0.74 KMT2A (0.70) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL880195 0.73 GAA (0.75) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL21519664 0.72 KMT2A (0.58) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL21519665 0.72 KMT2A (0.58) ALDH1A1SMN1; SMN2MAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 — — 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 (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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 ALDH1A1 1636/4885SMN1; SMN2 2515/4885MAPT 168/4885

“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.

Send feedback