SCHEMBL4167985

SCHEMBL4167985

O=C(c1ccccc1)N1Cc2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.64
HSP90B1 P14625 2/20 0.59
TRAP1 Q12931 2/20 0.59
HPGD P15428 4/20 0.59
NOTUM Q6P988 1/20 0.57
HSP90AA1 P07900 4/20 0.56
HSP90AB1 P08238 4/20 0.56
LMNA P02545 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ACHE P22303 1/20 0.52

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
SCHEMBL1065004 0.90 NAMPT (0.63) NAMPTHSP90B1TRAP1HPGDNOTUM
SCHEMBL29367465 0.89 NAMPT (0.62) NAMPTHSP90B1TRAP1HPGDHSP90AA1
SCHEMBL17618301 0.88 TRAP1 (0.65) NAMPTHSP90B1TRAP1HPGDNOTUM
SCHEMBL30277860 0.87 HPGD (0.73) NAMPTHPGDNOTUMLMNAALDH1A1
SCHEMBL4279383 0.87 HPGD (0.73) NAMPTHPGDNOTUMLMNAALDH1A1
SCHEMBL1304055 0.86 HSP90B1 (0.63) NAMPTHSP90B1TRAP1HPGDNOTUM
SCHEMBL3621450 0.84 HPGD (0.52) NAMPTHSP90B1TRAP1HPGDSIGMAR1
SCHEMBL31047689 0.84 PKM (0.62) NAMPTHSP90B1TRAP1HPGDNOTUM
SCHEMBL11605873 0.83 HPGD (0.59) NAMPTHPGDSIGMAR1ALDH1A1ACHE
SCHEMBL4155125 0.81 NAMPT (0.59) NAMPTHSP90B1TRAP1HPGDHSP90AA1

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
CN-118496146-A Preparation method of isoindoline diketone compound 五邑大学 2024-08-16 CN disclosed
US-20180169117-A1 PHARMACEUTICAL FORMULATION COMPRISING A SUBSTITUTED PHENYL - (1,3-DIHYDRO-ISOINDOL-2-YL) - METHANONE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-21 US disclosed
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS PFIZER, INC. 2009-08-27 US disclosed
US-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-03-19 US disclosed
WO-2007079957-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO 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 (3 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-20180169117-A1 PHARMACEUTICAL FORMULATION COMPRISING A SUBSTITUTED PHENYL - (1,3-DIHYDRO-ISOINDOL-2-YL) - METHANONE SDHA, LDHA, ALDH5A1 NAMPT 3162/4885HSP90B1 2642/4885TRAP1 1332/4885
US-20090215742-A1 AMIDE RESORCINOL COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P NAMPT 843/4885HSP90B1 4/4885TRAP1 26/4885
US-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS PCCA, PPARA, PTGES NAMPT 1008/4885HSP90B1 835/4885TRAP1 2088/4885

“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.