SCHEMBL2267649

SCHEMBL2267649

CNc1nc(C)cc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
RAB9A P51151 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 6/20 0.45
POLB P06746 2/20 0.45
GALR2 O43603 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 3/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TLR9 Q9NR96 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL29672031 0.79 ALDH1A1 (0.50) MAPTRAB9ATDP1MEN1KMT2A
SCHEMBL1625586 0.79 ALDH1A1 (0.50) MAPTRAB9ATDP1MEN1KMT2A
SCHEMBL29367224 0.79 ALDH1A1 (0.50) MAPTRAB9ATDP1MEN1KMT2A
SCHEMBL563664 0.79 ALDH1A1 (0.50) MAPTRAB9ATDP1MEN1KMT2A
SCHEMBL2267587 0.78 LMNA (0.46) MAPTRAB9ATDP1MEN1KMT2A
SCHEMBL16244909 0.77 MAPT (0.49) MAPTRAB9ATDP1MEN1KMT2A
SCHEMBL30557558 0.77 MAPT (0.49) MAPTRAB9ATDP1MEN1KMT2A
SCHEMBL803098 0.76 ALDH1A1 (0.47) MAPTRAB9ATDP1MEN1KMT2A
SCHEMBL5763814 0.76 ALDH1A1 (0.47) MAPTRAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL413683 0.73 MAPT (0.50) MAPTRAB9ATDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO 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-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH MAPT 4066/4885RAB9A 2429/4885TDP1 4790/4885

“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.