SCHEMBL6259498

SCHEMBL6259498

Cc1cc(C(=O)N2CCN(c3cccc(OC(F)F)c3)CC2)n(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
TSHR P16473 4/20 0.53
LMNA P02545 6/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 3/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 3/20 0.43
USP2 O75604 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CCKAR P32238 1/20 0.42

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
Hydrochloric Acid SCHEMBL6413959 0.99 KMT2A (0.54) KMT2ATSHRLMNAKDM4ERECQL
SCHEMBL6265999 0.91 KMT2A (0.56) KMT2ATSHRLMNAKDM4EALDH1A1
SCHEMBL6259270 0.89 KMT2A (0.54) KMT2ATSHRLMNAALDH1A1MAPK1
SCHEMBL6416255 0.85 TSHR (0.65) KMT2ATSHRLMNAALDH1A1MAPK1
SCHEMBL6259250 0.85 CCKAR (0.55) KMT2ATSHRLMNAALDH1A1MAPK1
SCHEMBL6415443 0.85 TSHR (0.59) KMT2ATSHRLMNARECQLALDH1A1
Hydrochloric Acid SCHEMBL6414463 0.84 KMT2A (0.54) KMT2ATSHRLMNAALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6414121 0.84 CCKAR (0.54) KMT2ATSHRLMNAALDH1A1MAPK1
SCHEMBL6263633 0.84 KMT2A (0.53) KMT2ATSHRLMNAKDM4EALDH1A1
SCHEMBL6261742 0.84 TSHR (0.58) KMT2ATSHRLMNAALDH1A1MAPK1

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
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US claimed
EP-1590329-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2005-11-02 EP disclosed
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US disclosed
WO-2004078732-A1 N-ARYL HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-09-16 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 (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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT KMT2A 1284/4885TSHR 4236/4885LMNA 2233/4885

“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.