SCHEMBL3394573

SCHEMBL3394573

[CH2]C=Cc1ccnc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
ALDH1A1 P00352 5/20 0.62
HPGD P15428 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
CYP1A2 P05177 3/20 0.62
HSD17B10 Q99714 2/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPK1 P28482 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2C9 P11712 1/20 0.62
ALOX15 P16050 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HTT P42858 3/20 0.58
LMNA P02545 1/20 0.58
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL4818560 1.00 MAPT (0.62) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6850607 0.87 MAPT (0.54) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL13351489 0.81 MAPT (0.62) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7146064 0.81 MAPT (0.62) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL14432324 0.81 MAPT (0.62) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL304325 0.80 MAPT (0.56) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3174845 0.79 ALDH1A1 (0.76) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9000553 0.79 MAPT (0.65) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9665295 0.79 MAPT (0.65) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3174841 0.79 ALDH1A1 (0.76) MAPTALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015703-A2 NOVEL 6-O-SUBSTITUTED 15-MEMBERED 8A- AND 9A-LACTAMS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2010-02-11 WO disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
US-20060142214-A1 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. 2006-06-29 US disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
US-6667338-B2 For therapy of bacterial infections ABBOTT LABORATORIES 2003-12-23 US disclosed
US-20020142973-A1 9-Amino erythromycin derivatives with antibacterial activity ABBVIE INC. 2002-10-03 US disclosed
US-20020132782-A1 9-amino erythromycin derivatives with antibacterial activity ABBOTT LABORATORIES 2002-09-19 US disclosed
WO-2002057286-A2 9-AMINO ERYTHROMYCIN DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 2002-07-25 WO 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 (3 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-20060142214-A1 3,6-bicyclolides ABCB11, CYP2B6, CYP3A7 MAPT 3856/4885ALDH1A1 988/4885HPGD 715/4885
US-20020142973-A1 9-Amino erythromycin derivatives with antibacterial activity MRPL9, MRPL19, MRPL21 MAPT 4554/4885ALDH1A1 3150/4885HPGD 3091/4885
US-20020132782-A1 9-amino erythromycin derivatives with antibacterial activity MRPL9, MRPL19, MRPL21 MAPT 4554/4885ALDH1A1 3150/4885HPGD 3091/4885

“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.