SCHEMBL6487287

SCHEMBL6487287

CN1CCN(c2nc3cc(Cl)c([N+](=O)[O-])cc3o2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.53
VCAM1 P19320 1/20 0.43
PTGES O14684 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
SIRT6 Q8N6T7 2/20 0.40
MAPT P10636 2/20 0.40
PGK1 P00558 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
S100A4 P26447 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL6492116 0.95 LMNA (0.51) LMNAALDH1A1VCAM1PTGESSMN1; SMN2
SCHEMBL31349383 0.86 LMNA (0.53) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL14810413 0.86 LMNA (0.53) LMNAALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL6489251 0.85 LMNA (0.52) LMNAALDH1A1PTGESMAPT
SCHEMBL6496120 0.78 HRH4 (0.43) HRH4
SCHEMBL3356620 0.78 RAB9A (0.50) LMNAALDH1A1SMN1; SMN2SIRT6MAPT
SCHEMBL6488937 0.78 APP (0.50) LMNAALDH1A1SMN1; SMN2SIRT6MAPT
SCHEMBL6487554 0.78 PTGES (0.51) PTGESHRH4KDM4E
SCHEMBL6488338 0.76 PTGES (0.42) PTGESHRH4
SCHEMBL6499476 0.76 HRH4 (0.42) PTGESHRH4

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
US-6867226-B2 Serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA, LTD. (JP) 2005-03-15 US disclosed
US-6552057-B2 In addition to 5-HT3 receptor antagonism, and inhibiting diarrhea without causing constipation as side effect; benzoxazole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2003-04-22 US disclosed
EP-0806419-B1 Benzoxazole derivatives as serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA (JP) 2003-04-02 EP disclosed
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA, LTD. 2003-01-16 US disclosed
US-6333328-B1 MIXING BENZOXAZOLE DERIVATIVE WITH CARRIER TO FORM ACTIVATOR COMPOUND MEIJI SEIKA KAISHA, LTD. (JP) 2001-12-25 US disclosed
US-6297246-B1 BENZOXAZOLE DERIVATIVES; DOES NOT CAUSE CONSTIPATION AS A SIDE EFFECT. MEIJI SEIKA KAISHA LTD. (JP) 2001-10-02 US disclosed
US-20010016579-A1 Serotonin 5-HT, receptor partial activator LOTUS PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 US disclosed
US-6037342-A BENZOXAZOLE DERIVATIVES HAVING STRONG SEROTONIN 5-HT.SUB.3 RECEPTOR ANTAGONISM; TREATING FUNCTIONAL DISORDERS OF DIGESTIVE ORGANS MEIJI SEIKA KAISHA, LTD (JP) 2000-03-14 US disclosed
EP-0806419-A1 Benzoxazole derivatives as serotonin 5-HT3 receptor partial activator MEIJI SEIKA KAISHA LTD. (JP) 1997-11-12 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 (2 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-20010016579-A1 Serotonin 5-HT, receptor partial activator HTR7, HTR1A, HTR3A LMNA 4341/4885ALDH1A1 1596/4885VCAM1 3816/4885
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator HTR7, HTR3A, HTR1A LMNA 4286/4885ALDH1A1 1795/4885VCAM1 4003/4885

“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.