SCHEMBL5113417

SCHEMBL5113417

Cc1nc(O)c2c(n1)C(c1ccc(Cl)cc1Cl)CCC2C[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.35
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
DPP4 P27487 1/20 0.30

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
SCHEMBL6650846 0.99 TP53 (0.34) TP53MAPTNPC1S1PR4LMNA
SCHEMBL5106321 0.90 TP53 (0.34) TP53MAPTNPC1S1PR4LMNA
SCHEMBL5105876 0.82 TP53 (0.34) TP53KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL5498704 0.72 TP53 (0.36) TP53MAPTHTTTSHR
SCHEMBL5112642 0.72 ALDH1A1 (0.43) TP53S1PR4HPGDCYP2C9CYP2C19
SCHEMBL5139368 0.71 TP53 (0.33) TP53KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL5487155 0.71 TP53 (0.38) TP53TSHR
SCHEMBL5113296 0.69 TP53 (0.36) TP53LMNAKMT2ACYP1A2CYP2C9
SCHEMBL5492086 0.65 TP53 (0.36) TP53HTTTSHR
SCHEMBL5099902 0.64 CRHR1 (0.55) TP53DPP4

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-7329667-B2 A hexahydro-1,5,6,8-tetraaza-acenaphthylene or -1,3,4-triazaphenalene derivatives; treatment of depression and anxiety; inflammatory bowel disease; treatment of conditions mediated by corticotropin-releasing factor GLAXO GROUP LIMITED (GB) 2008-02-12 US disclosed
US-20040235871-A1 Crf receptor antagonists GLAXO GROUP LIMITED (GB) 2004-11-25 US 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-20040235871-A1 Crf receptor antagonists CRHR1, CRHR2, CRH TP53 4688/4885MAPT 4815/4885NPC1 531/4885

“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.