SCHEMBL1531207

SCHEMBL1531207

COc1cc(Oc2cc(C)[nH]n2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIRT6 Q8N6T7 1/20 0.40
MAPK8 P45983 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
CHEK1 O14757 2/20 0.38
MERTK Q12866 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
MAPK1 P28482 1/20 0.36

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
SCHEMBL1531122 0.86 MAPT (0.44) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL1531171 0.85 MEN1 (0.46) ALDH1A1HTTLMNAL3MBTL1MEN1
SCHEMBL1531079 0.83 ATM (0.43) ALDH1A1HTTLMNATDP1L3MBTL1
SCHEMBL1531139 0.83 TSHR (0.43) ALDH1A1HTTLMNATDP1MEN1
SCHEMBL1531147 0.81 MAPT (0.50) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL10817393 0.80 ALDH1A1 (0.56) ALDH1A1HTTLMNATDP1L3MBTL1
SCHEMBL1531057 0.80 ESRRA (0.43) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL1531253 0.78 PIK3C3 (0.56) ALDH1A1HTTLMNATDP1MEN1
SCHEMBL1531160 0.78 TDP1 (0.43) ALDH1A1HTTTDP1L3MBTL1MEN1
SCHEMBL1531163 0.78 MAPK1 (0.43) HTTLMNATDP1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292606-A1 Pyrazole derivative, its intermediate, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2011-03-09 EP disclosed
US-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-06-17 US disclosed
US-7700786-B2 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 2010-04-20 US disclosed
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2005-03-31 US disclosed
EP-1362852-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-11-19 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-20100152443-A1 PYRAZOLE DERIVATIVE, INTERMEDIATE THEREFOR, PROCESSES FOR PRODUCING THESE, AND HERBICIDE CONTAINING THESE AS ACTIVE INGREDIENT CYP51A1, CYP4F11, WEE1 ALDH1A1 113/4885HTT 2758/4885LMNA 4711/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 ALDH1A1 113/4885HTT 2758/4885LMNA 4711/4885

“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.