SCHEMBL457699

SCHEMBL457699

[NH]CCCn1nnc(-c2ccccc2Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 3/20 0.44
USP2 O75604 3/20 0.42
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7768870 0.83 HPGD (0.51) RAB9AALDH1A1NPC1HPGDL3MBTL1
SCHEMBL454811 0.80 RAB9A (0.57) RAB9AALDH1A1HPGDL3MBTL1USP2
SCHEMBL454100 0.77 LTA4H (0.62) ALDH1A1KMT2AMAPT
SCHEMBL7768873 0.77 RAB9A (0.68) RAB9AALDH1A1NPC1HPGDL3MBTL1
SCHEMBL10736455 0.72 ALDH1A1 (0.49) RAB9AALDH1A1NPC1HPGDL3MBTL1
SCHEMBL7774902 0.70 RAB9A (0.50) RAB9AALDH1A1NPC1HPGDL3MBTL1
SCHEMBL7774794 0.70 RAB9A (0.67) RAB9AALDH1A1NPC1HPGDL3MBTL1
SCHEMBL23625644 0.69 RAB9A (0.65) RAB9AALDH1A1L3MBTL1USP2TSHR
SCHEMBL8567162 0.68 NPC1 (0.44) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL23625631 0.67 RAB9A (0.62) RAB9AALDH1A1L3MBTL1USP2TSHR

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-9815863-B2 Hydrogen bond forming fluoro ketolides for treating diseases CEMPRA PHARMACEUTICALS, INC. (US) 2017-11-14 US disclosed
EP-2613630-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Cempra Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
US-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2013-07-04 US disclosed
WO-2012034058-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES CEMPRA PHARMACEUTICALS, INC. (US) 2012-03-15 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 (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-20130172280-A1 HYDROGEN BOND FORMING FLUORO KETOLIDES FOR TREATING DISEASES Q6ZSR9, LSS, LCT RAB9A 531/4885ALDH1A1 1487/4885NPC1 176/4885

“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.