SCHEMBL22791547

SCHEMBL22791547

O=C(CN1CCCCC1)Nc1ccc(N2CCCCCC2)cn1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ POLB P06746 2/20 0.61
▸ GAA P10253 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ RAD52 P43351 2/20 0.61
▸ DEGS1 O15121 3/20 0.59
▸ TSHR P16473 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ GFER P55789 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GSK3B P49841 6/20 0.49
▸ DYRK1A Q13627 6/20 0.49
▸ WNT1 P04628 4/20 0.49
▸ NPC1 O15118 1/20 0.49

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
SCHEMBL22791546 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL17450650 0.82 RAB9A (0.56) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL15972102 0.82 RAD52 (0.54) ALDH1A1KDM4EPOLBRAD52TSHR
SCHEMBL21286268 0.80 ALDH1A1 (0.66) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL17450652 0.80 RAB9A (0.57) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL15986894 0.80 RAD52 (0.56) ALDH1A1KDM4EPOLBRAD52DEGS1
SCHEMBL22791611 0.80 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAMAPT
Hydrochloric Acid SCHEMBL22777896 0.78 ALDH1A1 (0.89) ALDH1A1KDM4EPOLBGAAMAPT
SCHEMBL15986675 0.78 TSHR (0.52) ALDH1A1KDM4ETSHRGSK3BDYRK1A
SCHEMBL18453953 0.77 MAPT (0.44) ALDH1A1KDM4EPOLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356176-A1 Kv11.1-3.1 INHIBITING METHODS AND COMPOSITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-11-10 — — US disclosed
WO-2020252130-A1 KV11.1-3.1 INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE, INC. (US) 2020-12-17 — — 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-20220356176-A1 Kv11.1-3.1 INHIBITING METHODS AND COMPOSITIONS KCNAB1, KCNMA1, KCNA1 ALDH1A1 1489/4885KDM4E 2187/4885POLB 4307/4885

“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