SCHEMBL5113296

SCHEMBL5113296

Cc1nc(Cl)c2c(n1)C(c1ccc(Cl)cc1Cl)CCC2C=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
PGR P06401 1/20 0.34
CRHR1 P34998 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
AGTR1 P30556 1/20 0.31

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
SCHEMBL5139368 0.79 TP53 (0.33) TP53ALDH1A1HTTCRHR1CYP2C9
SCHEMBL5492086 0.75 TP53 (0.36) TP53ALDH1A1HTTCRHR1SMN1; SMN2
SCHEMBL3271338 0.73 TP53 (0.38) TP53ALDH1A1HTTCRHR1GAA
SCHEMBL5105876 0.70 TP53 (0.34) TP53CRHR1CYP2C9CYP2C19CYP1A2
SCHEMBL5113417 0.69 TP53 (0.35) TP53HTTCYP2C9CYP2C19CYP1A2
SCHEMBL5498704 0.68 TP53 (0.36) TP53ALDH1A1HTTCRHR1GAA
SCHEMBL6650846 0.68 TP53 (0.34) TP53LMNA
SCHEMBL5099902 0.67 CRHR1 (0.55) TP53CRHR1
SCHEMBL5487155 0.67 TP53 (0.38) TP53ALDH1A1CRHR1GAATSHR
SCHEMBL5494540 0.65 SMN1; SMN2 (0.34) TP53CRHR1CYP2C9CYP2C19SMN1; 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
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
EP-1383498-B1 CRF RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2006-03-15 EP disclosed
US-20040235871-A1 Crf receptor antagonists GLAXO GROUP LIMITED (GB) 2004-11-25 US disclosed
EP-1383498-A1 CRF RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
WO-2002087573-A1 CRF RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-11-07 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-20040235871-A1 Crf receptor antagonists CRHR1, CRHR2, CRH TP53 4688/4885ALDH1A1 3620/4885HTT 3657/4885

“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.