SCHEMBL4201299

SCHEMBL4201299

COc1cc(-n2nnnc2C)ccc1C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
NOTUM Q6P988 1/20 0.43
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
TACR1 P25103 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FGFR1 P11362 1/20 0.40
CYP1A2 P05177 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
S1PR4 O95977 1/20 0.37

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
SCHEMBL4205532 0.89 ATM (0.45) ALDH1A1RAB9ANPC1POLBNOTUM
SCHEMBL13742929 0.82 NOTUM (0.47) ALDH1A1RAB9ANPC1POLBNOTUM
SCHEMBL13743012 0.80 NOTUM (0.47) ALDH1A1POLBNOTUMCA12CA9
SCHEMBL3814197 0.77 LMNA (0.47) NOTUMCA12CA9LMNASMN1; SMN2
SCHEMBL3823337 0.76 NOTUM (0.42) NOTUMATMCA12CA9LMNA
SCHEMBL8530490 0.75 NOTUM (0.46) ALDH1A1RAB9ANOTUMATMCA12
SCHEMBL4203800 0.73 ATM (0.55) ALDH1A1ATMTSHRKDM4ETDP1
SCHEMBL14941765 0.73 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1POLBLMNA
SCHEMBL4205207 0.73 TACR1 (0.44) ALDH1A1NPC1ATMLMNATACR1
SCHEMBL8529082 0.73 KCNN4 (0.38) ALDH1A1RAB9ANOTUMATMCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20070060630-A1 Alkoxy-(tetrazol-1-yl)benzaldehyde compound and process for producing the same ALDH7A1, NAT1, ARSA ALDH1A1 4/4885RAB9A 4394/4885NPC1 3229/4885

“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.