SCHEMBL5021458

SCHEMBL5021458

Cc1cc(Cl)cc2nc(S)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.41
AHR P35869 1/20 0.38
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CXCR4 P61073 1/20 0.31
CMKLR1 Q99788 1/20 0.31
CETP P11597 1/20 0.31

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
SCHEMBL6489387 0.81 NUDT1 (0.61) NUDT1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6010774 0.81 AHR (0.36) AHRALDH1A1POLBLMNAHPGD
SCHEMBL16391300 0.78 MAOB (0.36) LMNACETPCYP1A2MAPTTHRB
SCHEMBL16391288 0.78 NUDT1 (0.41) NUDT1NPC1RAB9ACETPMAPT
SCHEMBL16391331 0.78 NUDT1 (0.41) NUDT1NPC1RAB9AHPGDCETP
SCHEMBL16391287 0.77 GABRA1 (0.40)
SCHEMBL6010882 0.77 ESR1 (0.39)
SCHEMBL6010848 0.77 ESR1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2THRB
SCHEMBL16391312 0.75 MAOB (0.41) NPC1RAB9ACASP3SENP7POLB
SCHEMBL16391333 0.75 ESR1 (0.42) ALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020718-B1 NOVEL PDE4 INHIBITOR MEIJI SEIKA PHARMA CO LTD (JP) 2018-12-26 EP disclosed
US-9890142-B2 PDE4 inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2018-02-13 US disclosed
US-9850235-B2 2017-12-26 US disclosed
US-20160159783-A1 PDE4 Inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-06-09 US disclosed
EP-3020718-A1 NOVEL PDE4 INHIBITOR Meiji Seika Pharma Co., Ltd. (JP) 2016-05-18 EP disclosed
CN-105431427-A Novel PDE4 inhibitor MEIJI SEIKA PHARMA CO LTD 2016-03-23 CN disclosed
US-8178666-B2 2-aminobenzoxazole process ALBANY MOLECULAR RESEARCH, INC. (US) 2012-05-15 US disclosed
US-8178666-B2 2-aminobenzoxazole process ALBANY MOLECULAR RESEARCH, INC. (US) 2012-05-15 US disclosed
US-20100113772-A1 2-Aminobenzoxazole Process ALBANY MOLECULAR RESEARCH, INC. (US) 2010-05-06 US disclosed
US-20100113772-A1 2-Aminobenzoxazole Process ALBANY MOLECULAR RESEARCH, INC. (US) 2010-05-06 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP 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
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP 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 (4 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 2133/4885AHR 115/4885NPC1 4655/4885
US-20030013730-A1 Serotonin 5-HT3 receptor partial activator HTR7, HTR3A, HTR1A NUDT1 2235/4885AHR 119/4885NPC1 4711/4885
US-20160159783-A1 PDE4 Inhibitor PDE4A, PDE4B, PDE3B NUDT1 1457/4885AHR 4399/4885NPC1 3097/4885
US-20100113772-A1 2-Aminobenzoxazole Process CCR2, CCL2, CCR4 NUDT1 1614/4885AHR 19/4885NPC1 4465/4885

“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.