SCHEMBL5371049

SCHEMBL5371049

COC(=O)c1ccc(C(=O)c2ccccc2F)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
CES2 O00748 1/20 0.43

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
SCHEMBL2846823 0.80 KMT2A (0.62) KMT2AHPGDNPC1SMN1; SMN2RAB9A
SCHEMBL3239957 0.80 ALDH1A1 (0.49) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL27518003 0.80 TSHR (0.57) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL3239722 0.80 KMT2A (0.42) KMT2AHPGDNPC1SMN1; SMN2RAB9A
SCHEMBL2958453 0.78 LMNA (0.64) KMT2AHPGDNPC1SMN1; SMN2RAB9A
SCHEMBL513707 0.77 KMT2A (0.67) KMT2AHPGDNPC1SMN1; SMN2HSD17B10
SCHEMBL29930913 0.77 KMT2A (0.67) KMT2AHPGDNPC1SMN1; SMN2HSD17B10
SCHEMBL69791 0.77 HTT (0.69) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL1898380 0.77 SMN1; SMN2 (0.57) KMT2AHPGDNPC1SMN1; SMN2RAB9A
SCHEMBL4946572 0.76 RAB9A (0.67) KMT2AHPGDNPC1SMN1; SMN2RAB9A

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-7300950-B2 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2007-11-27 US disclosed
US-20050176799-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH. 2005-08-11 US disclosed
US-6897232-B2 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-24 US disclosed
US-20030105336-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH 2003-06-05 US disclosed
US-6162819-A Pyrazole derivatives, their preparation and their use in pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-19 US disclosed
CN-1214339-A Pyrazole derivatives, their preparation and their use in pharmaceuticals HOECHST MARION ROUSSEL DE GMBH (DE) 1999-04-21 CN 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-20050176799-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals PDE3A, PDE3B, PDE5A KMT2A 4647/4885HPGD 136/4885NPC1 2441/4885
US-20030105336-A1 Pyrazole derivatives, their preparation and their use in pharmaceuticals PDE3B, PDE3A, PDE5A KMT2A 4854/4885HPGD 115/4885NPC1 2201/4885

“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.