SCHEMBL6495462

SCHEMBL6495462

N=C(N)NN=C1CCCc2[nH]c3ccc(Br)cc3c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
MAP3K14 Q99558 1/20 0.46
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F2 P00734 1/20 0.41
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
BAZ2B Q9UIF8 2/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 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
SCHEMBL6495460 1.00 MAPT (0.51) MAPTMAP3K14LMNACYP1A2CYP2D6
SCHEMBL6488914 0.86 F2 (0.41) MAPTLMNAALDH1A1KDM4EF2
SCHEMBL6488300 0.86 PTGES (0.43) MAPTLMNAL3MBTL1SIRT1ALDH1A1
SCHEMBL6488195 0.86 MAP3K14 (0.46) MAPTMAP3K14SIRT1ALDH1A1MAPK1
SCHEMBL6488907 0.86 F2 (0.41) MAPTLMNAALDH1A1KDM4EF2
SCHEMBL6488296 0.86 PTGES (0.43) MAPTLMNAL3MBTL1SIRT1ALDH1A1
SCHEMBL6488194 0.86 MAP3K14 (0.46) MAPTMAP3K14SIRT1ALDH1A1MAPK1
SCHEMBL6502689 0.83 KDM4E (0.43) MAPTLMNAL3MBTL1HSD17B10ALDH1A1
SCHEMBL6502691 0.83 KDM4E (0.43) MAPTLMNAL3MBTL1HSD17B10ALDH1A1
SCHEMBL6491884 0.81 SIRT1 (0.37) MAPTMAP3K14LMNACYP1A2CYP2D6

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-6951881-B2 (1-substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-10-04 US disclosed
US-20030232843-A1 (1-Substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-12-18 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-20030232843-A1 (1-Substituted-indol-3-yl) alkylidenehydrazinecarboximidamide derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A MAPT 1293/4885MAP3K14 3172/4885LMNA 4083/4885

“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.