SCHEMBL4209233

SCHEMBL4209233

COc1ccc(-n2nnnc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.59
MAPT P10636 2/20 0.59
RAB9A P51151 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 5/20 0.57
PTGS2 P35354 3/20 0.55
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.48
PTGS1 P23219 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL24240345 0.86 LMNA (0.62) LMNAMAPTRAB9ANPSR1TSHR
SCHEMBL15786414 0.81 RAB9A (0.44) LMNAMAPTRAB9ANPSR1TSHR
SCHEMBL4202368 0.81 LMNA (0.48) LMNAMAPTRAB9ANPSR1TSHR
SCHEMBL4209166 0.81 PRMT1 (0.53) LMNAMAPTRAB9ANPSR1TSHR
SCHEMBL4210492 0.81 MAPT (0.57) LMNAMAPTRAB9ANPSR1TSHR
SCHEMBL4213757 0.81 ALDH1A1 (0.64) LMNAMAPTRAB9ANPSR1TSHR
SCHEMBL10053479 0.80 ALDH1A1 (0.59) LMNAMAPTRAB9ANPSR1TSHR
SCHEMBL3298388 0.80 ALDH1A1 (0.55) LMNAMAPTRAB9ANPSR1TSHR
SCHEMBL28188342 0.80 ALDH1A1 (0.55) LMNAMAPTRAB9ANPSR1TSHR
SCHEMBL4202188 0.78 CYP2D6 (0.54) LMNAMAPTRAB9ANPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365544-A1 SMALL MOLECULE INHIBITORS OF CALCIUM CHANNEL ACTIVITY AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-11-16 US disclosed
US-20230365544-A1 SMALL MOLECULE INHIBITORS OF CALCIUM CHANNEL ACTIVITY AND USES THEREOF NATIONAL INSTITUTES OF HEALTH 2023-11-16 US disclosed
WO-2021231553-A1 SMALL MOLECULE INHIBITORS OF CAV3.2 ACTIVITY AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-11-18 WO disclosed
US-7579480-B2 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same TOYO KASEI KOGYO COMPANY LIMITED (JP) 2009-08-25 US disclosed
US-20070060630-A1 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-03-15 US disclosed
EP-1650198-A1 ALKOXYTETRAZOL-1-YLBENZALDEHYDE COMPOUND AND PROCESS FOR PRODUCING THE SAME Toyo Kasei Kogyo Company Limited (JP) 2006-04-26 EP 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 (2 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-20230365544-A1 SMALL MOLECULE INHIBITORS OF CALCIUM CHANNEL ACTIVITY AND USES THEREOF CACNA1G, CACNA1I, CACNG3 LMNA 1895/4885MAPT 777/4885RAB9A 2529/4885
US-20070060630-A1 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same ALDH7A1, NAT1, ARSA LMNA 2434/4885MAPT 3279/4885RAB9A 4394/4885

“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.