SCHEMBL4547282

SCHEMBL4547282

O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
USP2 O75604 1/20 0.56
KDM4E B2RXH2 3/20 0.55
MAPK1 P28482 1/20 0.55
HSP90AA1 P07900 1/20 0.53
TSHR P16473 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL10038046 0.85 POLB (0.79) POLBALDH1A1HPGDUSP2KDM4E
SCHEMBL28354072 0.85 POLB (0.79) POLBALDH1A1HPGDUSP2KDM4E
SCHEMBL521639 0.85 POLB (0.79) POLBALDH1A1HPGDUSP2KDM4E
SCHEMBL19546873 0.85 POLB (0.79) POLBALDH1A1HPGDUSP2KDM4E
SCHEMBL10014710 0.83 USP2 (0.76) POLBALDH1A1HPGDUSP2KDM4E
SCHEMBL5512058 0.83 POLB (0.65) POLBALDH1A1HPGDUSP2KDM4E
SCHEMBL4547084 0.82 MEN1 (0.63) POLBALDH1A1HPGDKDM4EHSP90AA1
SCHEMBL17369114 0.81 SMN1; SMN2 (0.63) POLBALDH1A1HPGDUSP2KDM4E
SCHEMBL12549613 0.81 SMN1; SMN2 (0.63) POLBALDH1A1HPGDUSP2KDM4E
SCHEMBL12549856 0.81 SMN1; SMN2 (0.63) POLBALDH1A1HPGDUSP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450348-B1 NOVEL DIARYLAMINE COMPOUND, AND ANTI-AGING AGENT, POLYMER COMPOSITION, CROSSLINKED RUBBER PRODUCT AND MOLDED ARTICLE THEREOF, AND METHOD FOR PRODUCING DIARYLAMINE COMPOUND ZEON CORP (JP) 2016-12-14 EP disclosed
US-8883888-B2 Diarylamine compounds, aging inhibitor, polymer composition, crosslinked rubber product and molded article of the crosslinked product, and method of producing diarylamine compound ZEON CORPORATION (JP) 2014-11-11 US disclosed
EP-2450348-A1 NOVEL DIARYLAMINE COMPOUND, AND ANTI-AGING AGENT, POLYMER COMPOSITION, CROSSLINKED RUBBER PRODUCT AND MOLDED ARTICLE THEREOF, AND METHOD FOR PRODUCING DIARYLAMINE COMPOUND Zeon Corporation (JP) 2012-05-09 EP disclosed
US-20120101196-A1 NOVEL DIARYLAMINE COMPOUNDS, AGING INHIBITOR, POLYMER COMPOSITION, CROSSLINKED RUBBER PRODUCT AND MOLDED ARTICLE OF THE CROSSLINKED PRODUCT, AND METHOD OF PRODUCING DIARYLAMINE COMPOUND ZEON CORPORATION (JP) 2012-04-26 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-20120101196-A1 NOVEL DIARYLAMINE COMPOUNDS, AGING INHIBITOR, POLYMER COMPOSITION, CROSSLINKED RUBBER PRODUCT AND MOLDED ARTICLE OF THE CROSSLINKED PRODUCT, AND METHOD OF PRODUCING DIARYLAMINE COMPOUND CDKN1A, DDAH1, CCNI POLB 1122/4885ALDH1A1 849/4885HPGD 305/4885

“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.