SCHEMBL2401464

SCHEMBL2401464

COc1ccc(CNC(=O)c2nc3c(s2)C(=O)C=C(N2CCC2N(C)C2CCN2C2=CC(=O)c4sc(C(=O)NCc5ccc(OC)cc5)nc4C2=O)C3=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
MAOB P27338 2/20 0.38
CHRM4 P08173 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.37
TP53 P04637 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
MDM2 Q00987 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 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
SCHEMBL2400032 0.87 MAPT (0.46) POLBLMNAMAPTTSHRMAOB
SCHEMBL2401272 0.82 ALDH1A1 (0.47) POLBLMNAGAAMAPTTSHR
SCHEMBL2399179 0.78 MAOB (0.44) LMNAGAAMAOBRAB9AKMT2A
SCHEMBL2401463 0.75 CDK4 (0.43) POLBGAAMAPTMAOBTDP1
SCHEMBL2399165 0.73 ALDH1A1 (0.34) LMNAGAATSHRTDP1RAB9A
SCHEMBL2400913 0.71 CDK4 (0.50) POLBMAPTCHRM4TDP1RAB9A
SCHEMBL3813513 0.65 CDC25A (0.45) GAAMAPTTDP1RAB9AKMT2A
SCHEMBL3542705 0.65 CDC25A (0.57) LMNAGAAMAPTTSHRMAOB
Trifluoroacetic Acid SCHEMBL28712421 0.64 HDAC3 (0.45) GAAMAPTRAB9A
Trifluoroacetic Acid SCHEMBL29493266 0.64 HDAC3 (0.45) GAAMAPTRAB9A

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-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US claimed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP claimed
US-8017637-B2 Inhibitors of cdc phosphatases IPSEN PHARMA S.A.S. (FR) 2011-09-13 US disclosed
US-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US disclosed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 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-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES CDC25C, CDC25A, CDC25B POLB 2148/4885LMNA 4023/4885GAA 2616/4885

“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.