SCHEMBL5459991

SCHEMBL5459991

COc1ccc(OC)c(-c2ccnc(NC(=O)c3ccccc3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
ADORA3 P0DMS8 2/20 0.50
AURKB Q96GD4 1/20 0.49
HDAC8 Q9BY41 1/20 0.48
HDAC1 Q13547 1/20 0.48
PIK3CA P42336 1/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
CDC7 O00311 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CDKN1A P38936 1/20 0.47
PIK3CG P48736 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
SCD O00767 1/20 0.47

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
SCHEMBL5465449 0.83 PIK3CA (0.58) PRKCANPC1LMNAADORA3HDAC1
SCHEMBL5465088 0.83 RAB9A (0.59) KMT2AMEN1NPC1LMNATSHR
SCHEMBL5472976 0.82 PIK3CA (0.59) NPC1ADORA3PIK3CACDKN1APIK3CG
SCHEMBL5465855 0.82 HDAC1 (0.67) PRKCAKMT2AMEN1TSHRHDAC1
SCHEMBL5473201 0.78 CDK9 (0.52) KMT2AMEN1LMNATSHRAURKB
SCHEMBL4790476 0.74 EGFR (0.67) KMT2AMEN1NPC1LMNAADORA3
SCHEMBL5470852 0.74 ADORA1 (0.69) PRKCANPC1ADORA3HDAC1ABL1
SCHEMBL4737275 0.74 PIK3CA (0.52) KMT2AMEN1NPC1LMNAPIK3CA
SCHEMBL5467372 0.73 CDC7 (0.52) PRKCAADORA3HDAC1ABL1BCR
SCHEMBL5478064 0.73 KMT2A (0.52) PRKCAKMT2AMEN1NPC1LMNA

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 PRKCA 4186/4885KMT2A 2631/4885MEN1 2400/4885

“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.