SCHEMBL5471120

SCHEMBL5471120

CC(=O)N(c1nc(N(C(C)=O)c2cccc3ccccc23)nc(N(C(C)=O)c2cccc3ccccc23)n1)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.47
▸ GAA P10253 2/20 0.47
▸ PTPN1 P18031 2/20 0.44
▸ NR4A1 P22736 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ NR4A3 Q92570 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ CNR2 P34972 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL11024265 0.78 GAA (0.77) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL9547596 0.77 SIGMAR1 (0.52) SIGMAR1GAAPTPN1NR4A1NR4A2
SCHEMBL10958989 0.77 GAA (0.52) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL3626830 0.77 SIGMAR1 (0.67) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL3255855 0.76 SIGMAR1 (0.62) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL3077466 0.76 SIGMAR1 (0.53) SIGMAR1GAAPTPN1NR4A1NR4A2
SCHEMBL28447749 0.75 SIGMAR1 (0.50) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL28317409 0.75 SIGMAR1 (0.50) SIGMAR1GAAPTPN1NR4A1NR4A2
SCHEMBL27525100 0.75 SIGMAR1 (0.50) SIGMAR1GAANR4A1NR4A2NR4A3
SCHEMBL28068452 0.75 SIGMAR1 (0.50) SIGMAR1GAANR4A1NR4A2NR4A3

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-6413962-B1 ANESTHESIA AND TEMPERATURES REDUCTION; ALPHA-ADRENOCEPTOR AGONIST; RESTORATIVE TO CENTRAL NERVOUS SYSTEM, ESPECIALLY MOTOR AND SENSORY FUNCTIONAL LOSSES FROM TRAMATIC SPINAL CORD INJURIES; ANTISPASTICS; NONSEDATIVE; SIDE EFFECT REDUCTION NAFTCHI N ERIC (US) 2002-07-02 — — US claimed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 — — 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-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 SIGMAR1 257/4885GAA 256/4885PTPN1 4797/4885

“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.

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