SCHEMBL5289701

SCHEMBL5289701

[CH2]n1nnc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPC1 O15118 2/20 0.53
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
XPO1 O14980 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL3584194 0.79 CHRNB2 (0.61) RAB9ANPC1SMN1; SMN2CYP1A2HPGD
SCHEMBL344042 0.78 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1SMN1; SMN2
SCHEMBL4414873 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1SMN1; SMN2
SCHEMBL20816371 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1SMN1; SMN2
SCHEMBL4411089 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1SMN1; SMN2
SCHEMBL2210395 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1SMN1; SMN2
SCHEMBL8540443 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1SMN1; SMN2
SCHEMBL4405559 0.74 RAB9A (0.53) RAB9AL3MBTL1NPC1MAPK1SMN1; SMN2
SCHEMBL4403726 0.74 RAB9A (0.58) RAB9AL3MBTL1NPC1MAPK1SMN1; SMN2
SCHEMBL2210517 0.72 NPC1 (0.77) RAB9AL3MBTL1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
US-6498180-B1 SUCH AS 2-(3'-HYDROXYMETHYL-2'-CARBOXYCYCLOPROPYL)GLYCINE; MODULATING METABOTROPIC GLUTAMATE RECEPTOR; TREATING DISORDERS OF CENTRAL NERVOUS ELI LILLY AND COMPANY 2002-12-24 US claimed
EP-1189873-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS Lilly, S.A. (ES) 2002-03-27 EP claimed
WO-2000075101-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS LILLY, S.A. (ES) 2000-12-14 WO claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed
US-6498180-B1 SUCH AS 2-(3'-HYDROXYMETHYL-2'-CARBOXYCYCLOPROPYL)GLYCINE; MODULATING METABOTROPIC GLUTAMATE RECEPTOR; TREATING DISORDERS OF CENTRAL NERVOUS ELI LILLY AND COMPANY 2002-12-24 US disclosed
EP-1189873-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS Lilly, S.A. (ES) 2002-03-27 EP disclosed
WO-2000075101-A1 EXCITATORY AMINO ACID RECEPTOR MODULATORS LILLY, S.A. (ES) 2000-12-14 WO disclosed
EP-0215739-B1 SYNTHESIS OF BETA-LACTAM COMPOUNDS CIBA-GEIGY AG (CH) 1993-09-01 EP disclosed
US-5215997-A Synthesis of beta-lactam compounds CIBA-GEIGY CORPORATION (US) 1993-06-01 US disclosed
US-5153315-A Penicilllin deriviatives CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4962196-A (3S, 4R)-3,4-trans-disubstituted azetidin-2-one intermediates CIBA-GEIGY CORPORATION (US) 1990-10-09 US disclosed
EP-0297042-A1 Substituted penem compounds CIBA-GEIGY AG (CH) 1988-12-28 EP disclosed
EP-0233155-A1 Aminoacyloxymethyl compounds CIBA-GEIGY AG (CH) 1987-08-19 EP disclosed
EP-0215739-A1 Synthesis of beta-lactam compounds CIBA-GEIGY AG (CH) 1987-03-25 EP disclosed
EP-0201459-A1 Acylaminomethyl-penem compounds, their preparation and pharmaceutical formulations containing them CIBA-GEIGY AG (CH) 1986-11-12 EP 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 RAB9A 20/4885L3MBTL1 2280/4885NPC1 4197/4885

“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.