SCHEMBL7521998

SCHEMBL7521998

Nc1nc(N2CCCCC2)cc(NCCO)[n+]1[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.43
SLC29A1 Q99808 3/20 0.41
NUDT1 P36639 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CXCR4 P61073 1/20 0.36
POLB P06746 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
SCHEMBL14269185 0.91 HRH4 (0.36) HRH4SLC29A1NUDT1SMN1; SMN2LMNA
SCHEMBL6399183 0.87 NUDT1 (0.41) HRH4NUDT1SMN1; SMN2LMNACYP1A2
SCHEMBL7523111 0.83 NUDT1 (0.38) HRH4NUDT1SMN1; SMN2CYP1A2KMT2A
SCHEMBL6761125 0.80 NUDT1 (0.52) HRH4NUDT1SMN1; SMN2LMNACYP1A2
SCHEMBL7512888 0.79 HTT (0.55) HRH4SMN1; SMN2LMNACYP1A2TSHR
SCHEMBL6397494 0.78 NUDT1 (0.51) HRH4NUDT1SMN1; SMN2LMNACYP1A2
SCHEMBL14269186 0.78 BCHE (0.35) NUDT1ALDH1A1MAPTPOLB
Minoxidil SCHEMBL1318033 0.76 SMN1; SMN2 (0.44) HRH4NUDT1SMN1; SMN2LMNACYP1A2
Minoxidil SCHEMBL29698 0.74 SMN1; SMN2 (0.47) HRH4NUDT1SMN1; SMN2LMNACYP1A2
Minoxidil SCHEMBL638820 0.74 SMN1; SMN2 (0.47) HRH4NUDT1SMN1; SMN2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0829260-B1 Use of at least one pyrimidine derivative substituted in position 6 as stimulant of tyrosinase OREAL (FR) 2002-05-15 EP claimed
US-20020103216-A1 Administering topically a tyrosinase activity-stimulating amount of a 6-substituted pyrimidine 3-oxide PRUCHE FRANCIS (FR) 2002-08-01 US disclosed
US-6380263-B1 ADMINISTERING TO HUMAN EFFECTIVE TYROSINASE ACTIVITY-STIMULATING AMOUNT OF AT LEAST ONE 6-SUBSTITUTED PYRIMIDINE 3-OXIDE COMPOUND FOR PROMOTING PIGMENTATION OF THE SKIN AND/OR HAIR SOCIETE L'OREAL (FR) 2002-04-30 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-20020103216-A1 Administering topically a tyrosinase activity-stimulating amount of a 6-substituted pyrimidine 3-oxide TYR, TH, MC1R HRH4 412/4885SLC29A1 2119/4885NUDT1 38/4885

“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.