SCHEMBL6489539

SCHEMBL6489539

Cc1ccc2[nH]c3c(c2c1)C(=NN(C)C1=NCCN1)CC(c1ccccc1)C3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.38
LMNA P02545 5/20 0.36
HTT P42858 5/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 5/20 0.34
HSD17B10 Q99714 5/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PIM1 P11309 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
OPRM1 P35372 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
RB1 P06400 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL6500356 0.90 PARP1 (0.36) ALDH1A1LMNAHTTHPGDHSD17B10
SCHEMBL6489930 0.89 HPGD (0.33) ALDH1A1LMNAHTTHPGDHSD17B10
SCHEMBL6491124 0.79 PTGES (0.40) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL6491123 0.79 PTGES (0.40) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL6489545 0.79 KMT2A (0.40) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL6487310 0.78 ALDH1A1 (0.33) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL6492163 0.71 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL6492165 0.71 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL6497443 0.70 MAP3K14 (0.40) ALDH1A1KMT2AHTTMAPTMEN1
SCHEMBL6488757 0.70 MAP3K14 (0.40) ALDH1A1KMT2AHTTMAPTMEN1

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 ALDH1A1 1019/4885KMT2A 2933/4885LMNA 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.