SCHEMBL844601

SCHEMBL844601

Cc1cc(C(=O)NC2CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
POLB P06746 3/20 0.58
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 4/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALPL P05186 1/20 0.52
HCAR3 P49019 1/20 0.51

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
SCHEMBL28079640 0.94 TSHR (0.60) TSHRPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL14236838 0.93 TSHR (0.58) TSHRPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL19174812 0.92 ALDH1A1 (0.58) TSHRPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL3542244 0.90 LMNA (0.63) TSHRPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL240523 0.89 TSHR (0.63) TSHRPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL31229576 0.84 POLB (0.60) POLBRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL12443203 0.82 LMNA (0.62) TSHRPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL6458973 0.81 MCHR1 (0.53) POLB
SCHEMBL6458979 0.81 MCHR1 (0.53) POLB
SCHEMBL385099 0.80 TSHR (0.68) TSHRPOLBRAB9ANPC1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961746-B1 PHTHALAMIDE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL PESTICIDE, AND USE OF THE PESTICIDE NIHON NOHYAKU CO LTD (JP) 2012-03-28 EP disclosed
US-7994339-B2 Phthalamide derivative, agricultural or horticultural pesticide, and use of the pesticide NIHON NOHYAKU CO., LTD. (JP) 2011-08-09 US disclosed
US-7994339-B2 Phthalamide derivative, agricultural or horticultural pesticide, and use of the pesticide NIHON NOHYAKU CO., LTD. (JP) 2011-08-09 US disclosed
US-7994339-B2 Phthalamide derivative, agricultural or horticultural pesticide, and use of the pesticide NIHON NOHYAKU CO., LTD. (JP) 2011-08-09 US disclosed
US-20090111861-A1 Phthalamide Derivative, Agricultural or Horticultural Pesticide, and Use of the Pesticide NIHON NOHYAKU CO., LTD. (JP) 2009-04-30 US disclosed
US-20090111861-A1 Phthalamide Derivative, Agricultural or Horticultural Pesticide, and Use of the Pesticide NIHON NOHYAKU CO., LTD. (JP) 2009-04-30 US disclosed
US-20090111861-A1 Phthalamide Derivative, Agricultural or Horticultural Pesticide, and Use of the Pesticide NIHON NOHYAKU CO., LTD. (JP) 2009-04-30 US disclosed
EP-1961746-A1 PHTHALAMIDE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL PESTICIDE, AND USE OF THE PESTICIDE Nihon Nohyaku Co., Ltd. (JP) 2008-08-27 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 (1 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-20090111861-A1 Phthalamide Derivative, Agricultural or Horticultural Pesticide, and Use of the Pesticide DDT, HDAC2, HDAC1 TSHR 2436/4885POLB 4539/4885RAB9A 3650/4885

“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.