SCHEMBL5465150

SCHEMBL5465150

COc1ccc(-c2ccnc(NC(=O)COc3ccccc3)n2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
GAA P10253 2/20 0.55
MAPT P10636 1/20 0.55
CAMKK2 Q96RR4 3/20 0.52
PIK3CG P48736 2/20 0.52
DYRK1A Q13627 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
DHODH Q02127 3/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPK8 P45983 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AGTR1 P30556 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48

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
SCHEMBL5467323 0.87 GAA (0.60) GAAMAPTPIK3CGDYRK1ACLK4
SCHEMBL14348341 0.84 MAPT (0.61) GAAMAPTCAMKK2PIK3CGNPC1
SCHEMBL5465546 0.84 GAA (0.69) GAAMAPTNPC1RAB9AMAPK8
SCHEMBL5465532 0.83 ADORA3 (0.65) GAAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5465855 0.82 HDAC1 (0.67) HDAC1MAPTCAMKK2PIK3CGDYRK1A
SCHEMBL5468779 0.81 ADORA3 (0.65) GAAMAPTPIK3CGNPC1RAB9A
SCHEMBL5467334 0.81 NPSR1 (0.64) GAAMAPTDYRK1ACLK4NPC1
SCHEMBL8353979 0.81 CDK5 (0.58) GAAMAPTCAMKK2PIK3CGNPC1
SCHEMBL5473336 0.79 GAA (0.59) GAAADORA3ADORA2AADORA1
SCHEMBL5467412 0.78 KMO (0.56) GAAMAPTNPC1RAB9ASMN1; SMN2

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-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR HDAC1 1358/4885GAA 3044/4885MAPT 4503/4885

“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.