SCHEMBL24645772

SCHEMBL24645772

CC(=O)Nc1ccc(N2CCCCCC2)nc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
KDM4E B2RXH2 3/20 0.67
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
GFER P55789 1/20 0.60
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 1/20 0.58
KCNQ3 O43525 1/20 0.57
KCNQ2 O43526 1/20 0.57
TRPV1 Q8NER1 1/20 0.55
CRBN Q96SW2 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52

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
SCHEMBL7490372 0.86 MAPT (0.59) MAPTKDM4ECYP1A2CYP2C19CYP3A4
SCHEMBL50482 0.85 MAPT (0.69) MAPTKDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL4969527 0.84 KCNQ3 (0.60) MAPTKDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL4924716 0.84 KCNQ3 (0.57) MAPTKDM4ECYP1A2CYP2C19KCNQ3
SCHEMBL27961413 0.81 KCNQ3 (0.56) MAPTKDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL22664052 0.81 KCNQ3 (0.54) MAPTKDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL1984304 0.81 TRPV1 (0.57) MAPTKDM4ECYP1A2CYP2C19ALDH1A1
SCHEMBL22777899 0.80 KDM4E (0.60) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4920815 0.80 MAPT (0.69) MAPTKDM4EKCNQ3KCNQ2SMN1; SMN2
SCHEMBL13006763 0.79 MAPT (0.49) MAPTKDM4EALDH1A1GAAKCNQ3

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
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

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 MAPT 2623/4885KDM4E 2187/4885CYP1A2 2283/4885

“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.