SCHEMBL1916792

SCHEMBL1916792

Nc1nc(-c2cc(F)ccc2F)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 6/20 0.67
ALDH1A1 P00352 6/20 0.58
RAB9A P51151 5/20 0.58
ALOX5 P09917 1/20 0.58
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 3/20 0.56
TYR P14679 1/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NR4A1 P22736 1/20 0.42
BLM P54132 1/20 0.42
GRM5 P41594 1/20 0.42
AR P10275 1/20 0.41
NFKB1 P19838 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL31006087 1.00 MPL (0.67) MPLALDH1A1RAB9AALOX5MEN1
SCHEMBL62517 0.86 MPL (0.67) MPLALDH1A1RAB9AALOX5MEN1
SCHEMBL30123292 0.86 MPL (0.67) MPLALDH1A1RAB9AALOX5MEN1
SCHEMBL1802577 0.84 MPL (0.65) MPLALDH1A1RAB9AALOX5MEN1
SCHEMBL13997562 0.81 RAB9A (0.48) MPLALDH1A1RAB9AMEN1KMT2A
SCHEMBL474303 0.80 MPL (1.00) MPLALDH1A1RAB9AALOX5MEN1
SCHEMBL474246 0.79 MPL (0.59) MPLALDH1A1RAB9AALOX5MEN1
SCHEMBL1800902 0.79 ALDH1A1 (0.54) MPLALDH1A1RAB9AALOX5MEN1
Bromide SCHEMBL8359366 0.79 MPL (0.97) MPLALDH1A1RAB9AALOX5MEN1
SCHEMBL29654093 0.79 MPL (0.58) MPLALDH1A1RAB9AALOX5MEN1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344304-A Ibuprofen derivative and preparation method and application thereof 华南农业大学 2024-07-16 CN disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 US disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
US-20060035944-A1 Remedies for neurodegenerative diseases INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-02-16 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP 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 (7 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 MPL 3614/4885ALDH1A1 3396/4885RAB9A 2016/4885
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MPL 286/4885ALDH1A1 2216/4885RAB9A 1231/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 MPL 4443/4885ALDH1A1 97/4885RAB9A 4418/4885
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC MPL 1395/4885ALDH1A1 623/4885RAB9A 1681/4885
US-20060035944-A1 Remedies for neurodegenerative diseases GLA, CHAT, MAPT MPL 4885/4885ALDH1A1 181/4885RAB9A 2856/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG MPL 645/4885ALDH1A1 2732/4885RAB9A 1248/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MPL 286/4885ALDH1A1 2216/4885RAB9A 1231/4885

“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.