SCHEMBL4547084

SCHEMBL4547084

O=C1C2C3CCC(C3)C2C(=O)N1c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
LMNA P02545 5/20 0.55
KDM4E B2RXH2 1/20 0.55
HSP90AA1 P07900 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 2/20 0.47
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL24259900 0.94 MEN1 (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL10038045 0.85 MEN1 (0.85) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL18830966 0.85 MEN1 (0.85) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4547282 0.82 POLB (0.59) ALDH1A1NPC1RAB9AKDM4EHSP90AA1
SCHEMBL24641590 0.79 KMT2A (0.41) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL18306783 0.77 MEN1 (0.42) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL10189789 0.75 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3187312 0.75 CA12 (0.58) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3191415 0.74 MEN1 (0.56) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3191398 0.74 MEN1 (0.56) MEN1KMT2AALDH1A1NPC1RAB9A

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 MEN1 887/4885KMT2A 1429/4885ALDH1A1 849/4885

“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.