SCHEMBL4169984

SCHEMBL4169984

O=C(CCNCc1ccccc1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.57
PAX8 Q06710 1/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TDP1 Q9NUW8 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
NCOR2 Q9Y618 2/20 0.50
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAOA P21397 1/20 0.47
POLB P06746 1/20 0.47

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 SCHEMBL27352426 0.98 CCR6 (0.56) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL13323438 0.91 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL10746397 0.90 CCR6 (0.62) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL10747240 0.88 HDAC3 (0.62) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL10738859 0.88 HDAC3 (0.62) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL24119984 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL3660419 0.87 HTT (0.56) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL13381210 0.85 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1TDP1KMT2A
SCHEMBL24984042 0.85 ALDH1A1 (0.54) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL549268 0.85 LTA4H (0.60) ALDH1A1TDP1KMT2AMEN1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324176-B2 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-12-04 US disclosed
EP-1548024-B1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2012-06-06 EP disclosed
US-7635684-B2 treatment of disease associated with hyperglycemia: diabetes, impaired glucose tolerance, impaired fasting glycemia, diabetic complications or obesity; e.g. -[(4-{3-[N-(Carbamoylmethyl)-N-(methanesulfonyl)amino]-propoxy}-2-methylphenyl)methyl]-3-( beta -D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-22 US disclosed
US-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL CO., LTD (JP) 2009-08-13 US disclosed
CN-100413878-C Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL COMPANY (JP) 2008-08-27 CN disclosed
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-12-08 US disclosed
CN-1688597-A Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL COMPANY (JP) 2005-10-26 CN disclosed
EP-1548024-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-06-29 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 (2 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-20090203633-A1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF UGGT1, GCKR, SLC5A1 CCR6 1320/4885PAX8 3252/4885ALDH1A1 335/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 CCR6 1320/4885PAX8 3252/4885ALDH1A1 335/4885

“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.