SCHEMBL6397494

SCHEMBL6397494

CNc1cc(N2CCCC2)nc(N)[n+]1[O-]

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.51
HRH4 Q9H3N8 9/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL6761125 0.98 NUDT1 (0.52) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
SCHEMBL4652224 0.83 HRH4 (0.50) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
SCHEMBL4653431 0.81 SMN1; SMN2 (0.53) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
SCHEMBL4653878 0.81 SMN1; SMN2 (0.53) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
SCHEMBL6399183 0.81 NUDT1 (0.41) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
Hydrochloric Acid SCHEMBL4653618 0.80 SMN1; SMN2 (0.51) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
SCHEMBL5309809 0.79 HRH4 (0.46) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
SCHEMBL7521998 0.78 HRH4 (0.43) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
Minoxidil SCHEMBL638820 0.78 SMN1; SMN2 (0.47) NUDT1HRH4SMN1; SMN2CRHBPCRHR2
Minoxidil SCHEMBL29698 0.78 SMN1; SMN2 (0.47) NUDT1HRH4SMN1; SMN2CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050049232-A1 Composition LINDAU PAR (SE) 2005-03-03 US disclosed
EP-1463483-A1 NEW COMPOSITION Ponsus Pharma AB (SE) 2004-10-06 EP disclosed
WO-2003055454-A1 NEW COMPOSITION PONSUS PHARMA AB (SE) 2003-07-10 WO disclosed
US-5772990-A Composition for slowing down the loss of hair based on pyrimidine N-oxides triaminosubstituted or their sulfoconjugated L'OREAL (FR) 1998-06-30 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-20050049232-A1 Composition CUTA, LIPG, LIPA NUDT1 4169/4885HRH4 638/4885SMN1; SMN2 4641/4885

“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.