SCHEMBL3884256

SCHEMBL3884256

COc1c(C(=O)O)cnc2ccc(C=O)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 4/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NUDT1 P36639 1/20 0.38
AOX1 Q06278 1/20 0.38
TRIM24 O15164 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
MAPT P10636 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL3883176 0.88 KDM4E (0.45) KDM4EALDH1A1TSHRPDE4B
SCHEMBL3881601 0.88 TSHR (0.44) NPSR1CYP2C9KDM4EALDH1A1HPGD
SCHEMBL3883577 0.86 PDE4B (0.39) LMNANPC1RAB9ANPSR1CYP2C9
SCHEMBL3880885 0.81 LMNA (0.46) LMNACYP2C9KDM4EALDH1A1HPGD
SCHEMBL10337231 0.77 POLB (0.53) LMNANPC1RAB9ANPSR1CYP2C9
SCHEMBL3880333 0.76 ALDH1A1 (0.37) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9424875 0.76 NUDT1 (0.56) NPSR1NUDT1MAPTEGFRERBB2
SCHEMBL3883281 0.74 MEN1 (0.55) LMNANPSR1KDM4EPKMALDH1A1
SCHEMBL4586321 0.74 LMNA (0.57) LMNANPC1RAB9ANPSR1KDM4E
SCHEMBL3881004 0.74 ALDH1A1 (0.36) NPC1RAB9AKDM4EALDH1A1HPGD

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
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
EP-1771443-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006002828-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 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-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 LMNA 1472/4885NPC1 3984/4885RAB9A 3060/4885

“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.