SCHEMBL719666

SCHEMBL719666

CCOC(=O)CCN(C)C(=O)c1ccc(NC(CC(C)C)c2oc3ccc(Cl)cc3c2C)cc1.Cc1c(C(CC(C)C)Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)oc2ccc(Cl)cc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
HIF1A Q16665 3/20 0.36
KDM4E B2RXH2 1/20 0.36
P2RX3 P56373 3/20 0.34
ALOX5 P09917 2/20 0.34
MCL1 Q07820 1/20 0.34
EGFR P00533 2/20 0.33
KMT2A Q03164 1/20 0.33
GCG P01275 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PPARG P37231 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
RAB9A P51151 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL720180 0.98 MAOB (0.39) MAOBHIF1AKDM4EP2RX3ALOX5
SCHEMBL719401 0.94 MCL1 (0.38) MAOBHIF1AKDM4EP2RX3MCL1
SCHEMBL719322 0.90 KMT2A (0.43) HIF1AKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL716349 0.88 KMT2A (0.45) HIF1AKDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL719561 0.85 MAPT (0.41) MAOBKDM4EKMT2AALDH1A1RAB9A
SCHEMBL720202 0.84 KMT2A (0.46) KDM4EKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL721057 0.83 MAOB (0.41) MAOBHIF1AKDM4EALOX5KMT2A
SCHEMBL718376 0.82 GCG (0.39) GCGSMN1; SMN2NPSR1RAB9A
SCHEMBL2669790 0.81 CASP3 (0.42) KDM4EKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL716872 0.81 MCL1 (0.47) MAOBHIF1AKDM4EMCL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAOB 2146/4885HIF1A 1023/4885KDM4E 1907/4885

“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.