SCHEMBL2267641

SCHEMBL2267641

Cc1cc(Cl)c([N+](=O)[O-])c(CN)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 5/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 4/20 0.37
HTT P42858 3/20 0.37
NPC1 O15118 3/20 0.36
HPGD P15428 2/20 0.36
TLR9 Q9NR96 2/20 0.36
TP53 P04637 1/20 0.36
XBP1 P17861 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
DCTPP1 Q9H773 5/20 0.35
S1PR4 O95977 3/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34

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
SCHEMBL2267584 0.78 LMNA (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL803098 0.78 ALDH1A1 (0.47) ALDH1A1TSHRMAPTRAB9ASMN1; SMN2
SCHEMBL29367224 0.78 ALDH1A1 (0.50) ALDH1A1TSHRMAPTRAB9ASMN1; SMN2
SCHEMBL563664 0.78 ALDH1A1 (0.50) ALDH1A1TSHRMAPTRAB9ASMN1; SMN2
SCHEMBL1625586 0.78 ALDH1A1 (0.50) ALDH1A1TSHRMAPTRAB9ASMN1; SMN2
SCHEMBL29672031 0.78 ALDH1A1 (0.50) ALDH1A1TSHRMAPTRAB9ASMN1; SMN2
SCHEMBL5763814 0.75 ALDH1A1 (0.47) ALDH1A1TSHRMAPTRAB9ASMN1; SMN2
SCHEMBL8811728 0.72 ALDH1A1 (0.44) ALDH1A1TSHRMAPTRAB9ASMN1; SMN2
SCHEMBL18031283 0.72 ALDH1A1 (0.44) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL2267649 0.72 MAPT (0.49) ALDH1A1TSHRMAPTRAB9ASMN1; 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 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 ALDH1A1 3055/4885TSHR 117/4885MAPT 4066/4885

“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.