SCHEMBL1531175

SCHEMBL1531175

CCNC(=O)n1nc(Oc2ccc([N+](=O)[O-])cc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.41
MGLL Q99685 2/20 0.41
MAPT P10636 6/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYOC Q99972 1/20 0.40
MMP13 P45452 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1531111 0.80 MAPT (0.42) HTTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1531156 0.77 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL13406386 0.75 GAA (0.39) HTTKMT2AMAPTNPSR1ALDH1A1
SCHEMBL13326026 0.73 KDM4E (0.37) HTTPOLBMAPTRAB9ALMNA
SCHEMBL11835233 0.68 KMT2A (0.76) HTTMEN1KMT2ASMN1; SMN2POLB
4-Nitrophenyl Ethylcarbamate SCHEMBL1695035 0.68 MGLL (0.74) KMT2ASMN1; SMN2POLBMGLLMAPT
SCHEMBL11570143 0.67 FFAR1 (0.67) HSP90AA1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1531253 0.66 PIK3C3 (0.56) HTTMEN1KMT2AMAPTRAB9A
SCHEMBL11832317 0.65 KMT2A (0.51) HSP90AA1HSP90AB1HTTMEN1KMT2A
SCHEMBL11832823 0.64 MAPT (0.52) HTTMEN1KMT2APOLBMAPT

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 7 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-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-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 HSP90AA1 1151/4885HSP90AB1 1168/4885HTT 2758/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 HSP90AA1 1151/4885HSP90AB1 1168/4885HTT 2758/4885

“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.