SCHEMBL5469110

SCHEMBL5469110

CC(=O)ON=C(N)NNC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAOA P21397 1/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP2C9 P11712 1/20 0.44
PTGS2 P35354 3/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10111458 0.75 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL27772250 0.75 NPC1 (0.60) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL2897981 0.74 RAB9A (0.65) NPC1RAB9ACTDSP1SMN1; SMN2CYP1A2
SCHEMBL400890 0.74 RAB9A (0.77) NPC1RAB9ACTDSP1SMN1; SMN2MAOA
SCHEMBL14667470 0.73 MAPT (0.60) SMN1; SMN2CYP1A2POLBALDH1A1MAPT
SCHEMBL213829 0.73 ALDH1A1 (0.51) SMN1; SMN2POLBALDH1A1MAPTKMT2A
SCHEMBL2045675 0.73 CYP2C19 (0.48) NPC1RAB9ASMN1; SMN2CYP1A2POLB
SCHEMBL212911 0.73 MAPT (0.60) SMN1; SMN2CYP1A2POLBALDH1A1MAPT
SCHEMBL2045676 0.73 CYP2C19 (0.48) NPC1RAB9ASMN1; SMN2CYP1A2POLB
SCHEMBL11963959 0.73 MAPT (0.60) SMN1; SMN2CYP1A2POLBALDH1A1MAPT

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
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
US-7109329-B2 Neurologically active compounds and compounds with multiple activities NAFTCHI N ERIC 2006-09-19 US disclosed
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 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 NPC1 372/4885RAB9A 1141/4885CTDSP1 4551/4885

“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.