SCHEMBL1531111

SCHEMBL1531111

CCNC(=O)n1nc(Oc2cc(OCC)ccc2[N+](=O)[O-])cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 2/20 0.39
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38

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
SCHEMBL1531060 0.92 ALDH1A1 (0.41) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL1531209 0.87 ALDH1A1 (0.39) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL3283338 0.84 ALDH1A1 (0.43) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL1531175 0.80 HSP90AA1 (0.43) MAPTALDH1A1LMNAHTTNPC1
SCHEMBL1531249 0.80 L3MBTL1 (0.44) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1531156 0.78 SMN1; SMN2 (0.38) MAPTALDH1A1LMNAKDM4ENPC1
SCHEMBL1531128 0.77 TXNRD1 (0.41) MAPTALDH1A1HTTMAPK1NPSR1
SCHEMBL13326026 0.76 KDM4E (0.37) MAPTALDH1A1LMNAGAAKDM4E
SCHEMBL1531147 0.73 MAPT (0.50) MAPTALDH1A1LMNAGAARECQL
SCHEMBL1531186 0.73 AR (0.40) ALDH1A1LMNATSHRHTTSMN1; SMN2

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 MAPT 3884/4885ALDH1A1 113/4885LMNA 4711/4885
US-20050070441-A1 Pyrazole derivative, intermediate therefor, processes for producing these, and herbicide containing these as active ingredient CYP51A1, CYP4F11, WEE1 MAPT 3884/4885ALDH1A1 113/4885LMNA 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.