SCHEMBL334198

SCHEMBL334198

CC(NCCN)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 9/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.41
RECQL P46063 1/20 0.41
KAT2B Q92831 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL5466541 0.90 NPC1 (0.47) NPC1ALDH1A1MAPTKDM4EUSP2
SCHEMBL5466533 0.90 NPC1 (0.47) NPC1ALDH1A1MAPTKDM4EUSP2
SCHEMBL26118762 0.84 NPC1 (0.43) NPC1ALDH1A1MAPTKDM4EUSP2
SCHEMBL27570921 0.84 NPC1 (0.47) NPC1ALDH1A1MAPTKDM4EUSP2
SCHEMBL30604029 0.84 NPC1 (0.47) NPC1ALDH1A1MAPTKDM4EUSP2
SCHEMBL26118758 0.84 NPC1 (0.43) NPC1ALDH1A1MAPTKDM4EUSP2
SCHEMBL18575578 0.82 HTR1A (0.50) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL28487385 0.79 ALDH1A1 (0.58) NPC1ALDH1A1MAPTKDM4EUSP2
SCHEMBL28945403 0.79 ALDH1A1 (0.44) NPC1ALDH1A1MAPTKDM4EUSP2
Hydrochloric Acid SCHEMBL28638070 0.78 ALDH1A1 (0.57) NPC1ALDH1A1MAPTKDM4EUSP2

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-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 LOXL2 3899/4885NPC1 209/4885ALDH1A1 1939/4885

“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.