SCHEMBL6470826

SCHEMBL6470826

NC(=O)c1ccc(C=CC=O)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.51
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
XDH P47989 2/20 0.41
TRPA1 O75762 2/20 0.38
LMNA P02545 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPK1 P28482 1/20 0.38
SIRT6 Q8N6T7 2/20 0.38
NAMPT P43490 1/20 0.37
VNN1 O95497 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL29953629 0.82 KMT2A (0.50) P4HTMKMT2AALDH1A1KDM4ESIRT6
SCHEMBL2645451 0.82 KMT2A (0.50) P4HTMKMT2AALDH1A1KDM4ESIRT6
SCHEMBL5037214 0.78 P4HTM (0.58) P4HTMKMT2AALDH1A1KDM4ESIRT6
SCHEMBL14313758 0.77 KMT2A (0.49) P4HTMKMT2AALDH1A1SIRT6NAMPT
SCHEMBL19304056 0.75 ALDH1A1 (0.47) P4HTMKMT2AALDH1A1KDM4EMAPT
SCHEMBL2760887 0.75 KMT2A (0.47) P4HTMKMT2ASIRT6NAMPTVNN1
SCHEMBL6470827 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTXDHTRPA1
SCHEMBL16379657 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTXDHTRPA1
SCHEMBL10959192 0.74 ALDH1A1 (0.59) KMT2AALDH1A1KDM4EMAPTXDH
SCHEMBL28404616 0.72 KMT2A (0.57) P4HTMKMT2ASIRT6NAMPTVNN1

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA P4HTM 3028/4885KMT2A 2085/4885ALDH1A1 2820/4885

“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.