SCHEMBL6852078

SCHEMBL6852078

OC/C=C/c1cnc(-c2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RHOA P61586 1/20 0.43
HPGDS O60760 10/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
CYP11B1 P15538 1/20 0.37
GRM5 P41594 1/20 0.37
TDO2 P48775 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6850826 1.00 NPC1 (0.50) NPC1RAB9ANFKB1NFKB2RELA
Biphenyl SCHEMBL21402588 0.78 PAM (0.52) ALDH1A1CYP3A4RECQL
Biphenyl SCHEMBL21402589 0.78 PAM (0.52) ALDH1A1CYP3A4RECQL
SCHEMBL6228721 0.78 ADRB2 (0.44) NPC1RAB9ARHOAALDH1A1CYP3A4
SCHEMBL6228723 0.78 ADRB2 (0.44) NPC1RAB9ARHOAALDH1A1CYP3A4
SCHEMBL6850530 0.77 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2RHOAALDH1A1
SCHEMBL6876935 0.77 ALDH1A1 (0.40) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL6850537 0.77 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2RHOAALDH1A1
SCHEMBL6876926 0.77 ALDH1A1 (0.40) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL6852444 0.77 NPC1 (0.54) NPC1RAB9ANFKB1NFKB2RELA

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-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
US-20030220272-A1 6-O-acyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-27 US disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 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-20030220272-A1 6-O-acyl ketolide antibacterials Q6ZSR9, ACSL6, RPS4Y1 NPC1 2962/4885RAB9A 982/4885NFKB1 2468/4885

“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.