SCHEMBL4547007

SCHEMBL4547007

O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
GFER P55789 1/20 0.50
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
MAPK1 P28482 1/20 0.43
PTGS2 P35354 1/20 0.43
HTR2B P41595 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.42
APP P05067 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40

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
SCHEMBL27622789 0.84 HSP90AA1 (0.42) HSP90AA1MEN1KMT2AGFERHSD17B10
SCHEMBL2550420 0.84 HSPA1A (0.52) MEN1KMT2AALDH1A1SCN2AHSPA1A
SCHEMBL2132967 0.79 KMT2A (0.68) HSP90AA1MEN1KMT2AGFERHSD17B10
SCHEMBL23775711 0.74 SCN2A (0.64) HSP90AA1MEN1KMT2AGFERNR1H3
SCHEMBL571682 0.73 HSP90AA1 (1.00) HSP90AA1MEN1KMT2AGFERHSD17B10
SCHEMBL2553114 0.73 MEN1 (0.55) MEN1KMT2AALDH1A1ALOX12L3MBTL1
SCHEMBL2561939 0.73 ELANE (0.54) HSD17B10ALDH1A1TSHRNPC1RAB9A
SCHEMBL7941692 0.72 HSPA1A (0.41) MEN1KMT2AHSD17B10ALDH1A1ALOX15
SCHEMBL8965241 0.72 HSP90AA1 (0.65) HSP90AA1MEN1KMT2AGFERHSD17B10
SCHEMBL13258837 0.72 MGLL (0.46) HSP90AA1MEN1KMT2AALDH1A1NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSP90AA1 1127/4885MEN1 887/4885KMT2A 1429/4885

“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.