SCHEMBL4170943

SCHEMBL4170943

CC(=O)OCCN1CCN(C(=O)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.44
HTR4 Q13639 1/20 0.44
PKM P14618 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
SLC18A3 Q16572 1/20 0.41
VDR P11473 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 2/20 0.41
NPY5R Q15761 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4172921 0.86 KMT2A (0.52) KMT2AMEN1PKMGAAALDH1A1
SCHEMBL4168031 0.85 KMT2A (0.54) KMT2AMEN1PKMGAATHRB
SCHEMBL4165858 0.82 POLB (0.58) KMT2AMEN1PKMGAATHRB
SCHEMBL2278690 0.81 KMT2A (0.58) KMT2AMEN1PKMTHRBALDH1A1
SCHEMBL7027741 0.73 KMT2A (0.65) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL4172892 0.73 KMT2A (0.56) KMT2AMEN1PKMTHRBALDH1A1
SCHEMBL22470273 0.73 KMT2A (0.54) KMT2AMEN1THRBALDH1A1HTT
SCHEMBL4178616 0.71 KMT2A (0.64) KMT2AMEN1THRBALDH1A1LMNA
SCHEMBL14673278 0.71 KMT2A (0.59) KMT2AMEN1PKMGAATHRB
SCHEMBL4170212 0.70 KMT2A (0.59) KMT2AMEN1THRBALDH1A1LMNA

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 6 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
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
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 KMT2A 3222/4885MEN1 4575/4885HTR4 2655/4885
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 KMT2A 3222/4885MEN1 4575/4885HTR4 2655/4885

“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.