SCHEMBL6489387

SCHEMBL6489387

Cc1cc(C)c2oc(S)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.61
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 6/20 0.38
TP53 P04637 5/20 0.38
F2RL3 Q96RI0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
THRB P10828 4/20 0.34
CETP P11597 4/20 0.34
HPGD P15428 2/20 0.34
ELANE P08246 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
PTGES O14684 1/20 0.33

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
SCHEMBL16391299 0.81 NUDT1 (0.41) NUDT1NPC1RAB9A
SCHEMBL16391288 0.81 NUDT1 (0.41) NUDT1NPC1RAB9AMAPTCETP
SCHEMBL5021458 0.81 NUDT1 (0.41) NUDT1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL16391331 0.81 NUDT1 (0.41) NUDT1NPC1RAB9ATP53CETP
SCHEMBL3529852 0.76 NUDT1 (1.00) NUDT1NPC1RAB9AMAPTTP53
SCHEMBL9332749 0.74 NUDT1 (0.36) NUDT1
SCHEMBL2624381 0.73 NUDT1 (0.58) NUDT1NPC1RAB9AMAPTTP53
SCHEMBL6489417 0.72 ELANE (0.41) CETPELANE
SCHEMBL30612634 0.72 NUDT1 (0.56) NUDT1NPC1RAB9AMAPTTP53
SCHEMBL15745638 0.72 NPC1 (0.66) NUDT1NPC1RAB9AMAPTTP53

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 NUDT1 2133/4885NPC1 4655/4885RAB9A 3297/4885
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator HTR7, HTR3A, HTR1A NUDT1 2235/4885NPC1 4711/4885RAB9A 3113/4885

“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.