SCHEMBL1531156

SCHEMBL1531156

CCNC(=O)n1nc(Oc2cc(C)c([N+](=O)[O-])cn2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 6/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3283338 0.83 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1531249 0.79 L3MBTL1 (0.44) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1531060 0.78 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MAPTCYP2C19MEN1
SCHEMBL1531111 0.78 MAPT (0.42) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL1531175 0.77 HSP90AA1 (0.43) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1531209 0.76 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTCYP2C19MEN1
SCHEMBL1531128 0.76 TXNRD1 (0.41) ALDH1A1MAPT
SCHEMBL1531247 0.74 KIF11 (0.37) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL1531072 0.73 TDP1 (0.37) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL31554512 0.70 MAPT (0.46) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C9

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 SMN1; SMN2 4843/4885ALDH1A1 113/4885MAPT 3884/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 SMN1; SMN2 4843/4885ALDH1A1 113/4885MAPT 3884/4885

“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.