SCHEMBL5485633

SCHEMBL5485633

N=C(N)NNCCCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.45
LMNA P02545 4/20 0.44
ADRA1A P35348 1/20 0.42
NFKB1 P19838 2/20 0.42
TSHR P16473 2/20 0.42
PMP22 Q01453 1/20 0.42
CYP2D6 P10635 1/20 0.41
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PLG P00747 1/20 0.40
ALOX15 P16050 1/20 0.40
SLC6A2 P23975 1/20 0.40
RECQL P46063 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39

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
SCHEMBL9539681 0.94 LMNA (0.40) PRMT1LMNAADRA1ANFKB1TSHR
Hexanoate SCHEMBL5847711 0.90 GPR84 (0.55) TSHRKMT2AMEN1ALDH1A1ALOX15
Octanoic Acid SCHEMBL5848069 0.90 GPR84 (0.55) TSHRKMT2AMEN1ALDH1A1ALOX15
Heptanoate SCHEMBL5848781 0.90 GPR84 (0.55) TSHRKMT2AMEN1ALDH1A1ALOX15
Decanoic Acid SCHEMBL5849865 0.90 GPR84 (0.55) TSHRKMT2AMEN1ALDH1A1ALOX15
SCHEMBL4737041 0.85 ITGB3 (0.36) PRMT1LMNATSHRBLMNPSR1
SCHEMBL2107302 0.79 PRMT1 (0.59) PRMT1LMNAADRA1ANFKB1TSHR
SCHEMBL5535128 0.78 PRMT1 (0.63) PRMT1LMNAADRA1ANFKB1TSHR
SCHEMBL5533492 0.78 PRMT1 (0.63) PRMT1LMNAADRA1ANFKB1TSHR
SCHEMBL5538332 0.78 PRMT1 (0.63) PRMT1LMNAADRA1ANFKB1TSHR

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-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
CN-1444934-A Method for eliminating strange smell of oral medicine of L-arginine LI ANGUO (CN) 2003-10-01 CN 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 PRMT1 4349/4885LMNA 1614/4885ADRA1A 9/4885

“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.