SCHEMBL4533080

SCHEMBL4533080

FC(F)(F)C1Nc2ccccc2N1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.35
BRPF1 P55201 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
GFER P55789 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PNMT P11086 1/20 0.33
HTR5A P47898 1/20 0.33
BRD4 O60885 3/20 0.32
EP300 Q09472 1/20 0.32
IDO1 P14902 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL11753669 0.74 CREBBP (0.40) CREBBPBRPF1MEN1KMT2AGAA
SCHEMBL9718691 0.69 CREBBP (0.39) CREBBPBRPF1MEN1KMT2AGAA
SCHEMBL28448324 0.68 CREBBP (0.53) CREBBPBRPF1MEN1KMT2AGAA
SCHEMBL17376745 0.67 CREBBP (0.42) CREBBPBRPF1MEN1KMT2AGAA
SCHEMBL11750901 0.67 GAA (0.38) CREBBPBRPF1MEN1KMT2AGAA
SCHEMBL30681543 0.64 PNMT (0.56) CREBBPGAAMAPTPNMTBRD4
SCHEMBL11748558 0.64 MEN1 (0.36) CREBBPBRPF1MEN1KMT2AGAA
SCHEMBL24289281 0.63 MEN1 (0.39) CREBBPBRPF1MEN1KMT2AGAA
SCHEMBL3319641 0.63 CREBBP (0.39) CREBBPBRPF1MEN1KMT2AGAA
SCHEMBL8279432 0.63 CREBBP (0.50) CREBBPBRPF1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9003049-A None JP disclosed
CN-106573896-B Fluoroalkylating agents KUMIAI CHEMICAL INDUSTRY CO.,LTD. (JP) 2019-11-01 CN disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
CN-106573896-A Fluoroalkylating agents 庵原化学工业株式会社 2017-04-19 CN disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US disclosed
JP-H093049-A SUBSTITUTED 2-TRIFLUOROMETHYL-2,3-DIHYDROBENZIMIDAZOLE ITS PRODUCTION AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT AGENCY OF IND SCIENCE & TECHNOL 1997-01-07 JP 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 CREBBP 114/4885BRPF1 2392/4885MEN1 1785/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF CREBBP 2517/4885BRPF1 3464/4885MEN1 1618/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 CREBBP 936/4885BRPF1 4578/4885MEN1 3610/4885

“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.