SCHEMBL6429959

SCHEMBL6429959

N#Cc1ccc(C(NC(N)=O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
SLC6A9 P48067 1/20 0.53
SLC6A5 Q9Y345 1/20 0.53
GAA P10253 1/20 0.53
HSD17B2 P37059 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGDS O60760 2/20 0.48
S1PR3 Q99500 3/20 0.46
S1PR4 O95977 2/20 0.46
PRSS1 P07477 1/20 0.44
CTSG P08311 1/20 0.44
CTRB1 P17538 1/20 0.44
CMA1 P23946 1/20 0.44
EEF2K O00418 1/20 0.44
OPRD1 P41143 1/20 0.41
TSHR P16473 2/20 0.41
F2R P25116 1/20 0.40

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
SCHEMBL1386996 0.84 LMNA (0.79) LMNAGAAALDH1A1HPGDSTSHR
Formaldehyde SCHEMBL27761965 0.81 LMNA (0.73) LMNAGAAALDH1A1HPGDSTSHR
Ethylene SCHEMBL21647328 0.81 LMNA (0.73) LMNAGAAALDH1A1HPGDSTSHR
SCHEMBL3461364 0.80 LMNA (0.72) LMNAGAAALDH1A1HPGDSTSHR
SCHEMBL20529655 0.78 MEN1 (0.49) LMNACYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL22408310 0.78 LMNA (1.00) LMNASLC6A9GAAHSD17B2ALDH1A1
SCHEMBL18010560 0.78 LMNA (0.70) LMNASLC6A9SLC6A5GAAHSD17B2
Hydrochloric Acid SCHEMBL28055613 0.77 LMNA (0.97) LMNASLC6A9GAAHSD17B2ALDH1A1
SCHEMBL6168003 0.74 TSHR (0.48) LMNACYP2D6CYP2C9SLC6A9SLC6A5
SCHEMBL29181717 0.73 LMNA (0.62) LMNAGAAALDH1A1TSHR

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-20050032789-A1 Novel compounds useful in pain management ASTRAZENECA CANADA INC. 2005-02-10 US disclosed
EP-1089965-B1 Urea derivatives for pain management ASTRAZENECA AB (SE) 2004-09-15 EP disclosed
US-6777561-B1 MANAGEMENT OF PAIN; PHENYL-UREA COMPOUNDS ASTRAZENECA CANADA INC. (CA) 2004-08-17 US disclosed
EP-1089965-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-04-11 EP disclosed
WO-1999067204-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 1999-12-29 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-20050032789-A1 Novel compounds useful in pain management OPRL1, OPRK1, OPRM1 LMNA 4274/4885CYP2D6 599/4885CYP2C9 2082/4885

“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.